![C44H53FN7O8 Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-N-(2-metyl-1-oksopropyl)-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-N-(2-metyl-1-oksopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-metyletyl)fosforamidyt] (ACI) Ofbylding mei útsûndering](https://www.csnvchem.com/uploads/C44H53FN7O8.png)
C44H53FN7O8 Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-N-(2-metyl-1-oksopropyl)-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)
CAS-registraasjenûmer
144089-97-4
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 857.91 | - |
| pKa (Foarsein) | 9.16±0.20 | Soerste temperatuer: 25 °C |
Kanonike SMILES
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C(=O)N=C(NC(=O)C(C)C)NC65)N(C(C) C)C(C)C
Isomere SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@H](O1)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
YnChI
InChI= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-61(58-234-26)(43)(43)(43)(43)(43)(43)(43)(43)(43)(43)(43)(43)(43)(43) 6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16- 31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1
InChI-kaai
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Oare namme foar dizze stof
Guanosine, 5′ -O- [bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluor-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl bis(1-methylethyl)fosforamidyt] (9CI)
Beskikbere eigenskippen
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 298 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 6350 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 57800 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,76 x 105 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2.21 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,26 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2.24 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2.03 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.04 x 105 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 19300 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Eigendomswearde Tastân Boarne |
| Koc 312 pH 1; Temp: 25 °C (1) ACD |
| Koc 6630 pH 2; Temp: 25 °C (1) ACD |
| Koc 60400 pH 3; Temp: 25 °C (1) ACD |
| Koc 1.84 x 105 pH 4; Temp: 25 °C (1) ACD |
| Koc 2.31 x 105 pH 5; Temp: 25 °C (1) ACD |
| Koc 2.37 x 105 pH 6; Temp: 25 °C (1) ACD |
| Koc 2.35 x 105 pH 7; Temp: 25 °C (1) ACD |
| Koc 2.12 x 105 pH 8; Temp: 25 °C (1) ACD |
| Koc 1.08 x 105 pH 9; Temp: 25 °C (1) ACD |
| Koc 20200 pH 10; Temp: 25 °C (1) ACD |
| logD 4.47 pH 1; Temp: 25 °C (1) ACD |
| logD 5.80 pH 2; Temp: 25 °C (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logD | 6.76 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 7.24 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 7.35 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 7.35 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 7.30 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 7.01 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 6.28 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 7.351±0.713 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 3,0 x 10-5 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,022 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,0 x 10-3 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,2 x 10-4 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,9 x 10-5 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,1 x 10-5 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,0 x 10-5 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,0 x 10-5 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,3 x 10-5 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 6,5 x 10-5 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,5 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,0 x 10-5 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 3,5 x 10-8 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,6 x 10-5 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,2 x 10-6 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-7 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,5 x 10-8 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,6 x 10-8 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,5 x 10-8 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,5 x 10-8 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,9 x 10-8 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,6 x 10-8 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,1 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 3,5 x 10-8 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 857.91 | ||
| pKa | 9.16±0.20 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 184 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 18 | (1) ACD | |
| H-akseptors | 15 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor/Akseptor Som | 17 | (1) ACD | |
| logP | 7.351±0.713 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 857.91 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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