![C41H51N5O8SI Guanosine, 5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2'-O - [(1,1- Dimethylethyl), I-Oxopropy) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C41H51N5O8SI Guanosine, 5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2'-O - [(1,1- Dimethylethyl), I-Oxopropy) - (9CI, ACI)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 769,96 | - |
| Density (praedicta) | 1.25 ± 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)C3O[Si](C)(C)C(C)(C)C
Isomeric smiles
C (O [C @ h] 1o [C @ h] ([c @ h] (o [c) c (c2) c2 (c2. = = O) n = c (NC (c (c) = o) N3) (c4 cc = c (c = C5) C5 = c (c = C6 = c6 = c6 c (c = c6 = c6 =) C6 c6 = c (c = c6 = c6 = c (c = C6 = c6 = c6.
INCHI
Inchi = 1s / C41H51N5O8SI / C1-25 (II) XXXVI (XLVIII) 44-39-43-35-32 (XXXVII (XLIX), 45-39) 42-24-46 (XXXV) 38-34 (53-38 (8,9) XXXI (3,4) XXXI (53-38 (XLVII (3,4) XXXI (53-38 (XLVII) XXXI (3,4) XXXIII (XLVII) XXXI (53-38) 23-5) XXXI (3,4), 54-55 (XLVII) XXXI (3,4) XXXI (XLVII) XXXI (3,4) XXXIII (XLVII) XXXI (53-38) 23-5) XXXI (3,4), 54-55 (XLVII) XXXI (3,4) XXXI (XLVII (3,4) XXXI (53-38) XXXI (35-34 (53-38 (XLVII) XXXI (53-38) 23-5) XXXI (3,4), 54-55 (XLVII) XXXI (53-38), XXXI (II ( 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28 / H10-22,24-25,33-34,38,47h, 23h2,1-9h3, (H2,43,445,
48,49) / T31-, 33-, 34-, 38- / M1 / S1
Key Inchi
Jmcnkjfoijgyrg, cjegosrcsa, n
I aliud nomen huius substantiae
5-O- [bis (IV-methoxyphen) Phenylmethyl] -2' -2 - [(1,1 -2'2'e - Dimethyll] -n- (II-methyl, I-Oxopropyl) Guanosine (ACI)
Spectra praesto
1h NMR
13c NMR
Missa
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | 1.38 x CV | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 3.53 x CV | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 4.18 x CV | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 4.26 x CV | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 4.26 x CV | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 4.26 x CV | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | X 4.21 CV | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 3,77 x CV | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.86 x CV | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XXXIII) DCCC | 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 | 1.21 x CV | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 3.08 x CV | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 3.65 x CV | PH III; Temp: XXV ° C | (I) ACD |
| Koc | 3.72 x CV | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 3.73 x CV | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 3.72 x CV | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 3.68 x CV | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | 3,30 x CV | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 1.62 x CV | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | (XXCC) DC | PH X; Temp: XXV ° C | (I) ACD |
| logd | 7.22 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 7.63 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 7.70 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 7.71 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 7.71 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 7.71 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 7.70 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 7.66 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 7.35 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 6.61 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 7,710 ± 0.709 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 2.7 x 10-5 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | X 8.5 10-5 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-5 X 10-5 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.8 x 10-5 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.7 x 10-5 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.7 x 10-5 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.7 x 10-5 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.8 x 10-5 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-5 G / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 6.2 x 10-5 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.8 x 10-5 g / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | X 10-8 Mol 3.5 / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol X / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.3 x 10-8 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,6 x 10-8 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-8 Mol 3.5 / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-8 Mol 3.5 / l | PH V; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | X 10-8 Mol 3.5 / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,6 x 10-8 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.0 X 10-8 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 8,1 10-8 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.5 x 10-7 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,6 x 10-8 Mol / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Pondus | 769,96 | ||
| 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 | 1.25 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 615,5 ± 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 | 14 | (I) ACD | |
| H acceptors | 13 | (I) ACD | |
| H donos | 3 | (I) ACD | |
| H donator / Acceptor Sum | 16 | (I) ACD | |
| logp | 7,710 ± 0.709 | Temp: XXV ° C | (I) ACD |
| Pondus | 769,96 |
(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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