![C36H39N5O8 Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 669,72 | - |
| Dicht (virausgesot) | 1,35 ± 0,1 g/cm3 | Temperatur: 20 °C; Press: 760 Torr |
| pKa (virausgesot) | 9,16 ± 0,20 | Déi meescht sauer Temperatur: 25 °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(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/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40, 43,44)/t27-,29-,30-,34
-/m1/s1
InChI Schlëssel
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Aneren Numm fir dës Substanz
5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)guanosin (ACI)
| Eegeschafte verfügbar |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Struktur Zesummenhang |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 797 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2030 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2400 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2450 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2450 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2450 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2420 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2170 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1070 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 195 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 3020 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 7 680 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 9 100h | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 9270 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 9 290 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 9 280 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 9 170 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 8 220 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 4050 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 737 | pH 10; Temperatur: 25 °C | (1) ACD |
| log D | 4.27 | pH 1; Temperatur: 25 °C | (1) ACD |
| log D | 4,68 | pH 2; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| log D | 4,75 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 4,76 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 4,76 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 4,76 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | 4,76 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | 4,71 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | 4,40 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | 3,66 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,763±0,722 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 3,1 x 10-4 g/l | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 9,4 x 10-4 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-4 g/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-4 g/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-4 g/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-4 g/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-4 g/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,5 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 7,4 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,9 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-4 g/l | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 4,6 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,4 x 10-6 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,5 x 10-7 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,7 x 10-7 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,6 x 10-7 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,6 x 10-7 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,6 x 10-7 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,6 x 10-7 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,2 x 10-7 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-6 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-6 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 4,6 x 10-7 mol/l | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 669,72 | ||
| pKa | 9,16 ± 0,20 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | Déi meescht Basistemperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,35 ± 0,1 g/cm3 | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 494,4 ± 7,0 cm3/mol | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 12 | (1) ACD | |
| H Akzepter | 13 | (1) ACD | |
| H Donateuren | 3 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 16 | (1) ACD | |
| logP | 4,763±0,722 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 669,72 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Polar Fläch Beräich | 155 A2 | (1) ACD | |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13C NMR
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