![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) Feature Gambar](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)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 617.69 | - |
| Titik didih (diprediksi) | 762,6±70,0 °C | Pencét: 760 Torr |
| Kapadetan (diprediksi) | 1,27±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 13.31±0.70 | Suhu Paling Asam: 25 °C |
SMILES Canonical 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
InChI
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
InChI Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Ngaran séjén pikeun Zat ieu
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 kaca: 17 ngaku RNA; 12: PN: US20030211606 kaca: 18 ngaku Sunda NA; 12: PN: US20030212017 kaca: 19 ngaku Sunda NA; 14: PN: US20040005569 PAG E: 21 ngaku Sunda NA; 15: PN: US20040005565 kaca: 17- 22 ngaku RNA; 15: PN: US20040005570 kaca: 19 ngaku Sunda NA; 15: PN: U S20040006030 kaca: 22 ngaku Sunda NA; 15: PN: US20040014048 kaca: 19 ngaku Sunda NA; 16: PN: US20030171313 kaca: 9 ngaku RNA; 16: PN: US20030198965 kaca: 19 ngaku Sunda NA; 16: PN: US20040014047 kaca: 19 ngaku Sunda NA; 16: PN: US20040014049 HALAMAN:
19 ngaku RNA; 17: PN: US20040014051 kaca: 21 ngaku Sunda NA; 17: PN: US20040014699 kaca: 19 ngaku Sunda NA; 17: PN: W
O03106645 kaca: 69 ngaku Sunda NA; 18: PN: US20040006029 kaca: 22 ngaku Sunda NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 kaca: 15 ngaku Sunda NA; 5: PN: WO2005006958 kaca: 61 ngaku Sunda NA; 7: PN: WO20050 07825 kaca: 61 ngaku Sunda NA; 82: PN: US20040171566 kaca: 18 ngaku Sunda NA; 89: PN: US20040005707 kaca: 19 ngaku Sunda NA; 9: PN: WO03084478 kaca: 56 ngaku Sunda NA
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
| Termal |
Biologis
| Harta | Nilai | kaayaan | 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) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | kaayaan | 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 |
| Harta | Nilai | kaayaan | 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 |
| Kalarutan Intrinsik Massa | 5,2 x 10-3 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,51 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,40 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,13 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,020 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 6,8 x 10-3 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,4 x 10-3 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,3 x 10-3 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,2 x 10-3 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,2 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,2 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,3 x 10-3 g/L | Cai Unbuffered pH 7,05; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 8,4 x 10-6 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,2 x 10-4 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,4 x 10-4 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,1 x 10-4 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,3 x 10-5 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-5 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 8,7 x 10-6 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,5 x 10-6 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,4 x 10-6 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,4 x 10-6 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,4 x 10-6 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,5 x 10-6 mol / L | Cai Unbuffered pH 7,05; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 617.69 | ||
| pKa | 13.31±0.70 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 4,58±0,10 | Suhu Dasar: 25 °C | (1) ACD |
| Tekanan uap | 1,89 x 10-24 Torr | Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kapadetan
| Harta | Nilai | kaayaan | Sumber |
| Kapadetan | 1,27±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 483,8±7,0 cm3/mol | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 14 | (1) ACD | |
| H Akséptor | 11 | (1) ACD | |
| H Donor | 3 | (1) ACD | |
| H Donor / Akséptor Jumlah | 14 | (1) ACD | |
| logP | 3.169±0.598 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 617.69 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 134 A2 | (1) ACD | |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Termal
| Harta | Nilai | kaayaan | Sumber |
| Titik didih | 762,6±70,0 °C | Pencét: 760 Torr | (1) ACD |
| Éntalpi Nguap | 116,53±3,0 kJ/mol | Pencét: 760 Torr | (1) ACD |
| Titik kaingetan | 415,0±35,7 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1H NMR
13C NMR
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