![C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- [bis (4-metoksifenil) phenylmethyl] -2 ′ -O- methyl-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) phosphoramidite) (Acioethyl N, N-BIS (1-methylethyl) phosphoramidite] (Aci))](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- [bis (4-metoksifenil) phenylmethyl] -2 ′ -O- methyl-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) phosphoramidite) (Acioethyl N, N-BIS (1-methylethyl) phosphoramidite] (Aci))
Nomor Registri CAS
199593-09-4
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 801.87 | - |
| pKa (diprediksi) | 10,18 ± 0,20 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
N#CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C C4) C5 = CC = C (OC) C = C5) N (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] (oc) [c @@ h] (o1) n2c (= o) n = c (nc) (c) = c = c2) (c3 = cc = cc = (nc) c = c = c = c2) (c3 = cc = cc = c = c = c = c = c2) (c3 = cc = cc = c = c = c = c = c2) (c3 = cc = cc = c = c = c = c = = C (OC) C = C4) C5 = CC = CC = C5
Inci
InChI= 1S/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8)46-25-23-37(44-30(5)48)45-41(46)49)27-53 -42 (31-13-10-9-11-14-31,32-15-19-34 (50-6) 20-16-32) 33-17-21-35 (51-7) ( H, 44,45,48,49)/T36-, 38-, 39-, 40-, 57?/M1/S1
Kunci Inchi
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1 nama lain untuk zat ini
Cytidine,N-acetyl -5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9ci)
Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 4.77 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 50.1 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2190 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 21700 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 35700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 37800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 37900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 37300 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 31400 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 12300 | 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 8.29 PH 1; Temp: 25 ° C (1) ACD |
| KOC 87.1 Ph 2; Temp: 25 ° C (1) ACD |
| KOC 3800 PH 3; Temp: 25 ° C (1) ACD |
| KOC 37700 PH 4; Temp: 25 ° C (1) ACD |
| KOC 62000 PH 5; Temp: 25 ° C (1) ACD |
| KOC 65700 PH 6; Temp: 25 ° C (1) ACD |
| KOC 65900 PH 7; Temp: 25 ° C (1) ACD |
| KOC 64700 PH 8; Temp: 25 ° C (1) ACD |
| KOC 54500 PH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 Ph 10; Temp: 25 ° C (1) ACD |
| LOGD 2.43 PH 1; Temp: 25 ° C (1) ACD |
| LOGD 3.45 PH 2; Temp: 25 ° C (1) ACD |
| LOGD 5.09 PH 3; Temp: 25 ° C (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| logd | 6.09 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.30 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.32 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.25 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.84 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.329 ± 0,771 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1,8 x 10-4 g/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,14 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.2 x 10-4 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,9 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,8 x 10-4 g/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,8 x 10-4 g/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,8 x 10-4 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.2 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.6 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,8 x 10-4 g/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 2.3 x 10-7 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-3 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,7 x 10-4 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,9 x 10-6 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.0 x 10-7 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.4 x 10-7 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,8 x 10-7 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 7,0 x 10-7 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Berat molekul | 801.87 | ||
| PKA | 10,18 ± 0,20 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,57 ± 0,20 | 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 | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 18 | (1) ACD | |
| H akseptor | 14 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor/jumlah akseptor | 15 | (1) ACD | |
| logp | 6.329 ± 0,771 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 801.87 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 167 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
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