![C41H43N3O9 Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)fenylmethyl]-2'-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)fenylmethyl]-2'-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Wêne Vebijarkî](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)fenylmethyl]-2'-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 721.80 | - |
| Xala Helînê (Ezmûnî) | 107-110 °C | - |
| Density (Pêşbîn kirin) | 1,26±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 8,60±0,40 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
SMILES Îzomerî
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2) 35 (45) 34 (53-39) 26-52-41 (29-13
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
InChI Key
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Navên din ên vê madeyê
N-Benzoyl-5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-(2-metoksîetîl)-5-methylcytidine (ACI);10: PN: WO03084478 RÛpel: 57 ARN-ya îdîakirî;12: PN: US20030170636 PAGE: 17 îdîa kir R NA;13: PN: US20030212017 PAGE: 19 îdîa kir R NA;14: PN: US20030
211606 RÛpel: 19 îdîa kir R NA;15: PN: US20040005569 PAGE: 22 îdîa kir R NA;16: PN: US20040006030 PAGE: 22 îdîa kir R NA;16: PN: US20040014048 PAGE: 20 îdîa kir R NA;17: PN: US20030171313 PAGE: 9 îdîa kir R NA;17: PN: US20040005565 RÛpel: 17- 22 ARN-ya îdîakirî;17: PN: US20040005570 PAGE: 20 îdîa kir R NA;17: PN: US20040014047 PAGE: 20 îdîa kir R NA;17: PN: US20040 014050 PAGE: 20 îdîa kir R NA;18: PN: US20030198965 PAGE: 19 îdîa kir R NA;18: PN: US20040014699 PAGE: 20 îdîa kir R NA;19: PN: US20040006029 PAGE: 23 îdîa kir R NA;19: PN: WO03106645 PAGE: 71 îdîa kir R NA;59: PN: US20030166592 RÛpel: 15 ARN-ya îdîakirî;6: PN: WO2005006958 PAGE: 62 îdîa kir R NA;83: PN: US20040171566 PAGE: 18 îdîa kir R NA;8: PN: WO2005007825
PAGE: 62 îdîa kir R NA;90: PN: US20040005707 PAGE: 20 îdîa kir R NA;N4-Benzoyl-2'-O-metoksîetîl-5'-O-dimetoksîtrîtil-5-
methylcytidine
| Taybetmendiyên berdest |
| Termal |
Termal
| Mal | Giranî | Rewş | Kanî |
| Melting Point | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus
Spectra heye
1H NMR
13C NMR
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 291 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 644 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 3690 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 15600 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 23700 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 24800 | pH 6;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 23300 | pH 7;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 14100 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 3010 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 558 | pH 10;Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 569 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 1260 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 7210 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 30400 | pH 4;Germ: 25 °C | (1) ACD |
| Koc | 46300 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 48500 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 45500 | pH 7;Germ: 25 °C | (1) ACD |
| Koc | 27500 | pH 8;Germ: 25 °C | (1) ACD |
| Koc | 5890 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 1090 | pH 10;Germ: 25 °C | (1) ACD |
| logD | 4.16 | pH 1;Germ: 25 °C | (1) ACD |
| logD | 4.50 | pH 2;Germ: 25 °C | (1) ACD |
| logD | 5.26 | pH 3;Germ: 25 °C | (1) ACD |
| logD | 5.88 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 6.07 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 6.09 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 6.06 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 5.84 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 5.17 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 4.44 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 6,093±0,720 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 1,3 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,011 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,0 x 10-3 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 8,7 x 10-4 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,1 x 10-4 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya girseyî | 1,4 x 10-4 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-4 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,4 x 10-4 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,3 x 10-4 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-3 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-3 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,4 x 10-4 g/L | pH ava nebuffered 6,97;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,8 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,5 x 10-5 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,9 x 10-6 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,2 x 10-6 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,9 x 10-7 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,8 x 10-7 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,9 x 10-7 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,2 x 10-7 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,5 x 10-6 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 8,0 x 10-6 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,9 x 10-7 mol/L | pH ava nebuffered 6,97;Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 721.80 | ||
| pKa | 8,60±0,40 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,26±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 572,5±7,0 cm3/mol | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 15 | (1) ACD | |
| Mal | Giranî | Rewş | Kanî |
| H Qebûrker | 12 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 14 | (1) ACD | |
| logP | 6,093±0,720 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 721.80 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 137 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
| Navê dizî | Daxuyaniya xeterê | Kanî |
| H335 | Dibe ku bibe sedema acizbûna nefesê | Dabeşkirin & Etîketkirina Ajansa Kîmyewî ya Ewropî (ECHA) - Tesnîfkirin û nîşankirina agahdarkirî - ragihandinên herî gelemperî, Dabeşkirin û nîşankirinên Ajansa Kîmyewî ya Ewropî (ECHA) - Tesnîfkirin û nîşankirina agahdarkirî - agahdariya herî giran |
| H319 | Bû sedema acizbûna çavê giran | Dabeşkirin & Etîketkirina Ajansa Kîmyewî ya Ewropî (ECHA) - Tesnîfkirin û nîşankirina agahdarkirî - ragihandinên herî gelemperî, Dabeşkirin û nîşankirinên Ajansa Kîmyewî ya Ewropî (ECHA) - Tesnîfkirin û nîşankirina agahdarkirî - agahdariya herî giran |
| H315 | Sedema hêrsbûna çerm | Dabeşkirin & Etîketkirina Ajansa Kîmyewî ya Ewropî (ECHA) - Tesnîfkirin û nîşankirina agahdarkirî - ragihandinên herî gelemperî, Dabeşkirin û nîşankirinên Ajansa Kîmyewî ya Ewropî (ECHA) - Tesnîfkirin û nîşankirina agahdarkirî - agahdariya herî giran |
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