![C36H39N5O8 Guanosine, 5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosine, 5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI) Wêne ya Taybet](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosine, 5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 669.72 | - |
| Density (Pêşbîn kirin) | 1,35±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 9,16±0,20 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3OC
SMILES Îzomerî
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C3=C(N=C2)C(=O)N=C(NC( C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
=CC=C6
InChI
InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35) 37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-2 2,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/h6-18,20-2 1,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40,43,44)/t27-,29-,30-,34
-/m1/s1
InChI Key
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Navê din ji bo vê madeyê
5'-O-[Bis(4-metoksîfenîl)fenîlmethyl]-2'-O-methyl-N-(2-methyl-1-oksopropil)guanozîn (ACI)
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 797 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2030 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2400 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2450 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2450 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2450 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2420 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2170 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1070 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 195 | 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 | 3020 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 7680 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 9100 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 9270 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 9290 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 9280 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 9170 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 8220 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 4050 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 737 | pH 10; Germ: 25 °C | (1) ACD |
| logD | 4.27 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 4.68 | pH 2; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 4.75 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 4.76 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 4.76 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 4.76 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 4.76 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 4.71 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 4.40 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 4,763±0,722 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 3,1 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,4 x 10-4 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-4 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-4 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-4 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-4 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-4 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,5 x 10-4 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,4 x 10-4 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,9 x 10-3 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-4 g/L | pH ava nebuffered 6,99; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 4,6 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-6 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,5 x 10-7 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,7 x 10-7 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,6 x 10-7 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,6 x 10-7 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,6 x 10-7 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,6 x 10-7 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,2 x 10-7 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,8 x 10-6 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 4,6 x 10-7 mol/L | pH ava nebuffered 6,99; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 669.72 | ||
| pKa | 9,16±0,20 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | 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 | 1,35±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 494,4±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 | 12 | (1) ACD | |
| H Qebûrker | 13 | (1) ACD | |
| H Donors | 3 | (1) ACD | |
| H Donor / Qebûl Sum | 16 | (1) ACD | |
| logP | 4,763±0,722 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 669.72 |
(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 | 155 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
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