![C36H39N5O8 Guanosine, 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 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI) Ata Fa'aalia](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 669.72 | - |
| To'atele (Va'ai) | 1.35±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 9.16±0.20 | Le Tele o le Asi Sua: 25 °C |
O'O'ITA'I Canonical 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)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C5C)6
=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 Ki
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Isi igoa mo lenei mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI)
| Meatotino avanoa |
| Fa'aolaola |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
Fa'aolaola
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 797 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2030 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2400 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2450 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2450 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2450 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2420 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 2170 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1070 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 195 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 3020 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 7680 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 9100 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 9270 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 9290 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 9280 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 9170 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 8220 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 4050 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 737 | pH 10; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.27 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.68 | pH 2; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| ogalaauD | 4.75 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.76 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.76 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.76 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.76 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.71 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.40 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | 3.66 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | 4.763±0.722 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 3.1 x 10-4 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 9.4 x 10-4 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.7 x 10-4 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.1 x 10-4 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.1 x 10-4 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.1 x 10-4 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.1 x 10-4 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.1 x 10-4 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.5 x 10-4 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 7.4 x 10-4 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.9 x 10-3 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.1 x 10-4 g/L | Suavai e le fa'asaoina pH 6.99; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 4.6 x 10-7 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-6 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.5 x 10-7 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.7 x 10-7 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.6 x 10-7 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.6 x 10-7 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.6 x 10-7 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.6 x 10-7 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.2 x 10-7 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-6 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 4.6 x 10-7 mol/L | Suavai e le fa'asaoina pH 6.99; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 669.72 | ||
| pKa | 9.16±0.20 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Vave Autu: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.35±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 494.4±7.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 12 | (1) ACD | |
| H Tagata talia | 13 | (1) ACD | |
| H Donors | 3 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 16 | (1) ACD | |
| logP | 4.763±0.722 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 669.72 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Polar Surface Area | 155 A2 | (1) ACD | |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR
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