![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (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-methyl ethyl)phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/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-methyl ethyl)phosphoramidite] (ACI)
Nomor Registri CAS
144089-97-4
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 857.91 | - |
| pKa (diprediksi) | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C |
Senyum 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) C
Senyum isomer
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) c) = O) (c2) (ck = c (c (c (c (c) c) = O) (c2) (c = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inci
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/H9-11,13-22,26-29,35,36-32/H9-11,13-22,26-29,35,36,32H/H9-11,13-22,26-29,3-32H/H9-32/H9-32/H9-32/H96-32/ 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Kunci Inchi
KJFUMXZZVYMQEUU-AOCJBPQJSA-N
1 nama lain untuk zat ini
Guanosine, 5 ′ -O-[bis (4-metoksyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-N-(2-metil-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (1-metil etil) fosforamidit] (9ci)
Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 298 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 6350 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 57800 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.76 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2.21 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2.26 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2.24 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2.03 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.04 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 19300 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Sumber Kondisi Nilai Properti |
| 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 |
| Milik | Nilai | Kondisi | Sumber |
| logd | 6.76 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.24 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.35 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.35 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 7.30 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.01 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.28 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.351 ± 0,713 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 3.0 x 10-5 g/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,022 g/L. | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,0 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.2 x 10-4 g/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,9 x 10-5 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-5 g/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.0 x 10-5 g/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.0 x 10-5 g/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,3 x 10-5 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 6,5 x 10-5 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,5 x 10-4 g/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.0 x 10-5 g/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 3,5 x 10-8 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.6 x 10-5 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,2 x 10-6 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,4 x 10-7 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4,5 x 10-8 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,6 x 10-8 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,5 x 10-8 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,5 x 10-8 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,9 x 10-8 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 7,6 x 10-8 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.1 x 10-7 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan molar | 3,5 x 10-8 mol/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 857.91 | ||
| PKA | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Paling Basa Temp: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 184 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 18 | (1) ACD | |
| H akseptor | 15 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H donor/jumlah akseptor | 17 | (1) ACD | |
| logp | 7.351 ± 0,713 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 857.91 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
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