![C36H39N5O8 Guanosine, 5'-O- [bis (IV-methoxyphen) phenylmethyl] -2'-o-methyl- n- (II -2', o-Oxopropyl (II-x-x-oxopropyl) - (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosine, 5'-O- [bis (IV-methoxyphen) phenylmethyl] -2'-o-methyl- n- (II -2'-O oxopropyl) - (9ci, ACI) Featured Image](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosine, 5'-O- [bis (IV-methoxyphen) phenylmethyl] -2'-o-methyl- n- (II -2', o-Oxopropyl (II-x-x-oxopropyl) - (9ci, aci)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 669,72 | - |
| Density (praedicta) | 1.35 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 9.16 ± 0.20 | Most Acidic Temp: XXV ° C |
Canonical SMILES 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
Isomeric smiles
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 (II) XXXII (XLIII) 39-35-38-31-28 (XXXIII (XLIV) 40-35) 37-20-41 (XXXI) 34-30 (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 / H6-18,20-21,27,29-30,34,42h, 19H2,1-5H3 (H2,38,39,40,43,44) / T27-, 29-, 30-, XXXIV
- / M1 / S1
Key Inchi
Isqljogrnuqhx, wifiacmtsa, n
I aliud nomen huius substantiae
5-O- [bis (IV-methoxyphen) Phenylmethyl] -2' -2'-o-y-n- (II-methyl, I-oxopropyl) Guanosine (ACI)
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | DCCXCVII | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMXXX | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMCD | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMCDL | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMCDL | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMCDL | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMCDXX | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMCLXX | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MLXX | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CXCV | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | MMMXX | PH I; Temp: XXV ° C | (I) ACD |
| Koc | (VII) DCLXXX | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (IX) C | PH III; Temp: XXV ° C | (I) ACD |
| Koc | (IX) CCLXX | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | (IX) CCXC | PH V; Temp: XXV ° C | (I) ACD |
| Koc | (IX) CCLXXX | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | (IX) CLXX | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (VIII) CCXX | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | (IV) L | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | DCCXXXVII | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.27 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 4.68 | PH II; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| logd | 4.75 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 4.76 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 4.76 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 4.76 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 4.76 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 4.71 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 4.40 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 3.66 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 4.763 ± 0.722 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | X 10-4 X G / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.4 x 10-4 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 X G / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 X G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 X G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 X G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 X G / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10,4 X 10-4 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-3 X 10-3 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 X G / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 4.6 x 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-6 Mol X 10-4 / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.5 x 10-7 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.7 x 10-7 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.6 x 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.6 x 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.6 x 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.6 x 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.2 x 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-6 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 4.6 x 10-7 Mol / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Pondus | 669,72 | ||
| PKA | 9.16 ± 0.20 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 1.73 ± 0.10 | Maxime basic temp: XXV ° | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.35 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 494.4 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 12 | (I) ACD | |
| H acceptors | 13 | (I) ACD | |
| H donos | 3 | (I) ACD | |
| H donator / Acceptor Sum | 16 | (I) ACD | |
| logp | 4.763 ± 0.722 | Temp: XXV ° C | (I) ACD |
| Pondus | 669,72 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CLV A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
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