![C41h43n3o9 cytidine, n-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-methox](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41h43n3o9 cytidine, n-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'-o- (2-methoxethyl) -5-methox (9ci, aci) h335](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41h43n3o9 cytidine, n-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-methox
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 721.80 | - |
| Melting Point (ceribandin) | 107-110 ° C | - |
| Dendik (texmîn kirin) | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 8.60 ± 0.40 | Temana herî acid: 25 ° C |
Canonical Smiles O = C1N = C (NC (= o) c = cc2) C (= cn1c3oc (OC) C5 = C5) C6 = C6) C6 = C6) C (O) C3occoc) C
Isomeric bişirîn
C (OC [C @ H] 1o [C @ H] ([C @ h] 1o) N2C (= o) c3 = c4) (c5 = cc = c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c41h43n3o9 / c1-27-25-44 (40 (47) 43-38 (46) 42-38 (51-24-23-48-2) 35 (45) 34 (53-39) 26-52-41 (29-13)
-9-6-10-14-19-32 (49-3) 20-16-30) 31-17-30-33 (50-4) 22-18-31 - H5-2,25,34-36,39,45h, 23-24,26h2,1-4h3, (h, 42,43,46,47) / T34-, 3 5-, 36-, 39- / M1 / S1
Keyeya Inchi
Byscluaikfefah-Lzurgkrnsa-N
23 Navên din ên ji bo vê madeyê
N-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 Rûpel: 57 RNA îdîa kir; 12: pn: US20030170636 Rûpel: 17 îdîa kir r na; 13: pn: US20030212017 Rûpel: 19 îdîa kir r na; 14: pn: US20030
211606 Rûpel: 19 îdîa kir r na; 15: pn: US20040005569 Rûpel: 22 îdîa kir r na; 16: pn: US20040006030 Rûpel: 22 îdîa kir r na; 16: pn: US20040014048 Rûpel: 20 îdîa kir r na; 17: pn: US2003017131 Rûpel: 9 îdîa kir r na; 17: pn: US20040005565 Rûpel: 17- 22 22 RNA îdîa kir; 17: pn: US20040005570 Rûpel: 20 îdîa kir r na; 17: pn: US20040014047 Rûpel: 20 îdîa kir r na; 17: pn: US20040 014050 Rûpel: 20 îdîa kir r na; 18: pn: US20030198965 Rûpel: 19 îdîa kir r na; 18: pn: US20040014699 Rûpel: 20 îdîa kir r na; 19: pn: US20040006029 Rûpel: 23 îdîa kir r na; 19: pn: WO03106645 Rûpel: 71 îdîa kir r na; 59: pn: US20030166592 Rûpel: 15 îdîa kir RNA; 6: pn: wo2005006958 Rûpel: 62 îdîa kir r na; 83: pn: US20040171566 Rûpel: 18 îdîa kir r na; 8: PN: WO2005007825
Rûpel: 62 îdîa kir r na; 90: pn: US20040005707 Rûpel: 20 îdîa kir r na; N4-benzoyl-2'-o-methoxyethyl-5'-o-dimethoxytrityl-5-
methylcytidine
| Taybetmendiyên berdest |
| Thermal |
Thermal
| Mal | Giranî | Rewş | Kanî |
| Xala melting | 107-110 ° C | (1) cas | |
(1) penjarla, srishylam; Nucleosides, Nucleotides & Acidên Nucleic, (2018), 37 (4), 232-247, CA CAvlus
Spectra peyda dibe
1h nmr
13C nmr
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 291 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 644 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3690 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 15600 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 23700 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 24800 | PH 6; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 23300 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 14100 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3010 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 558 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 569 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1260 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7210 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 30400 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 46300 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 48500 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 45500 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 27500 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 5890 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1090 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.16 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.50 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 5.26 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 5.88 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.07 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.09 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 6.06 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 5.84 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 5.17 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.44 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.011 G / L | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.0 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 8.7 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.1 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility girseyî | 1.4 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.4 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.3 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.1 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.4 x 10-4 g / l | Avêtina avê ya unbuffered 6.97; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 X 10-5 Mol / L | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.9 x 10-6 Mol / L | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.2 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.9 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.8 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.9 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.2 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 8.0 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.9 x 10-7 mol / l | Avêtina avê ya unbuffered 6.97; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 721.80 | ||
| pka | 8.60 ± 0.40 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 3.87 ± 0.20 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 572.5 ± 7.0 CM3 / MOL | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 15 | (1) ACD | |
| Mal | Giranî | Rewş | Kanî |
| H qebûlkar | 12 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qedexe | 14 | (1) ACD | |
| logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 721.80 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 137 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
| Navê dizî | Daxuyaniya Hazard | Kanî |
| H335 | Dibe ku bibe sedema acizbûna respirasyonê | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
| H319 | Dibe sedema acizkirina çavê ciddî | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
| H315 | Dibe sedema acizkirina çerm | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
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