![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-metil etil)fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-metil etil)fosforamidit] (ACI) Gambar Unggulan](https://www.csnvchem.com/uploads/C44H53FN7O8.png)
C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-metil etil)fosforamidit] (ACI)
Nomer Registry CAS
144089-97-4
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 857.91 | - |
| pKa (Prediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
SMILES kanonik
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
Isomerik 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
IngChI
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(58-24-12-23-46)52(28(3)4)29(5) 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
Kunci Inchi
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Jeneng Liyane kanggo Zat iki
Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-N-(2-metil-1-oksopropil)-, 3′ - [2-sianoetil bis(1-metil etil)fosforamidit] (9CI)
Properti kasedhiya
biologi
Kimia
Lipinski
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 298 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 6350 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 57800 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,76 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,21 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,26 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,24 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,03 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,04 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 19300 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Sumber Kondisi Nilai Properti |
| Koc 312 pH 1; Suhu: 25 °C (1) ACD |
| Koc 6630 pH 2; Suhu: 25 °C (1) ACD |
| Koc 60400 pH 3; Suhu: 25 °C (1) ACD |
| Koc 1,84 x 105 pH 4; Suhu: 25 °C (1) ACD |
| Koc 2,31 x 105 pH 5; Suhu: 25 °C (1) ACD |
| Koc 2,37 x 105 pH 6; Suhu: 25 °C (1) ACD |
| Koc 2,35 x 105 pH 7; Suhu: 25 °C (1) ACD |
| Koc 2,12 x 105 pH 8; Suhu: 25 °C (1) ACD |
| Koc 1,08 x 105 pH 9; Suhu: 25 °C (1) ACD |
| Koc 20200 pH 10; Suhu: 25 °C (1) ACD |
| logD 4,47 pH 1; Suhu: 25 °C (1) ACD |
| logD 5,80 pH 2; Suhu: 25 °C (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| logD | 6.76 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 7.24 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 7.35 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 7.35 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 7.30 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 7.01 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.28 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 7,351±0,713 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 3,0 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,022 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,0 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,2 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,9 x 10-5 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,0 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,0 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,3 x 10-5 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 6,5 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,0 x 10-5 g/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 3,5 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,6 x 10-5 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,2 x 10-6 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,4 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,5 x 10-8 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,6 x 10-8 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,5 x 10-8 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,5 x 10-8 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,9 x 10-8 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 7,6 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,1 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 3,5 x 10-8 mol/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 857.91 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Area lumahing kutub | 184 A2 | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 18 | (1) ACD | |
| H. Akseptor | 15 | (1) ACD | |
| H. Donor | 2 | (1) ACD | |
| H Jumlah Donor / Akseptor | 17 | (1) ACD | |
| logP | 7,351±0,713 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 857.91 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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