![C34H39N3O8 Sitidin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Sitidin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 617.69 | - |
| Titik didih (diprediksi) | 762,6±70,0 °C | Pencet: 760 Torr |
| Kapadhetan (Prediksi) | 1,27±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 13.31±0.70 | Suhu Paling Asam: 25 °C |
SENYUMAN Kanonik O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
Isomerik SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
IngChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4) )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
Kunci Inchi
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Jeneng Liyane kanggo Zat iki
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 PAGE: 17 ngaku RNA; 12: PN: US20030211606 PAGE: 18 ngaku R NA; 12: PN: US20030212017 PAGE: 19 ngaku R NA; 14: PN: US20040005569 PAG E: 21 ngaku R NA; 15: PN: US20040005565 PAGE: 17- 22 ngaku RNA; 15: PN: US20040005570 PAGE: 19 ngaku R NA; 15: PN: U S20040006030 PAGE: 22 ngaku R NA; 15: PN: US20040014048 PAGE: 19 ngaku R NA; 16: PN: US20030171313 PAGE: 9 ngaku RNA; 16: PN: US20030198965 PAGE: 19 ngaku R NA; 16: PN: US20040014047 PAGE: 19 ngaku R NA; 16: PN: US20040014049 HALAMAN:
19 ngaku RNA; 17: PN: US20040014051 PAGE: 21 ngaku R NA; 17: PN: US20040014699 PAGE: 19 ngaku R NA; 17: PN: W
O03106645 PAGE: 69 ngaku R NA; 18: PN: US20040006029 PAGE: 22 ngaku R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 PAGE: 15 ngaku R NA; 5: PN: WO2005006958 PAGE: 61 ngaku R NA; 7: PN: WO20050 07825 PAGE: 61 ngaku R NA; 82: PN: US20040171566 PAGE: 18 ngaku R NA; 89: PN: US20040005707 PAGE: 19 ngaku R NA; 9: PN: WO03084478 PAGE: 56 ngaku R NA
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
| Thermal |
biologi
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 1.56 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.99 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 6.19 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 38.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 116 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 146 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 150 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 151 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 151 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 151 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | Sumber |
| Koc | 13.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 16.6 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 51.8 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 318 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 966 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 1220 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1260 | pH 7; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Koc | 1260 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 1260 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1260 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 1.18 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 1.29 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 1.78 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 2.57 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 3.05 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 3.16 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 3.17 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 3.17 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 3.17 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 3.17 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 3.169±0.598 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 5,2 x 10-3 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,51 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,40 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,13 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,020 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 6,8 x 10-3 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,4 x 10-3 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,3 x 10-3 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,2 x 10-3 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,2 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,2 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,3 x 10-3 g/L | Banyu Unbuffered pH 7,05; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 8,4 x 10-6 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 8,2 x 10-4 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 6,4 x 10-4 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,1 x 10-4 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,3 x 10-5 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-5 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 8,7 x 10-6 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 8,5 x 10-6 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 8,4 x 10-6 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 8,4 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 8,4 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 8,5 x 10-6 mol/L | Banyu Unbuffered pH 7,05; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 617.69 | ||
| pKa | 13.31±0.70 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 4.58±0.10 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan uap | 1,89 x 10-24 Torr | Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,27±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 483,8±7,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 14 | (1) ACD | |
| H. Akseptor | 11 | (1) ACD | |
| H. Donor | 3 | (1) ACD | |
| H Jumlah Donor / Akseptor | 14 | (1) ACD | |
| logP | 3.169±0.598 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 617.69 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 134 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Properti | Nilai | kahanan | Sumber |
| Titik didih | 762,6±70,0 °C | Pencet: 760 Torr | (1) ACD |
| Entalpi Penguapan | 116,53±3,0 kJ/mol | Pencet: 760 Torr | (1) ACD |
| Titik Flash | 415,0±35,7 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
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