![C33H35N3O8 Sitidin, N-asetil-5′-O-[bis(4-metoksifenil)fenilmétil]-2′-O- métil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Sitidin, N-asetil-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- métil- (9CI, ACI) Gambar Unggul](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Sitidin, N-asetil-5′-O-[bis(4-metoksifenil)fenilmétil]-2′-O- métil- (9CI, ACI)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 601.65 | - |
| Kapadetan (diprediksi) | 1,28±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 10.19±0.20 | Suhu Paling Asam: 25 °C |
SMILES Canonical O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2OC)NC(=O)C
Seuri Isomérik C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C5=C4)C
InChI
InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30( 42-4)29(38)27(44-31)20-43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17-13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31s
Konci InChI
FINUHOJILDNELQ-PMFUCWTESA-N
1 Ngaran séjén pikeun Zat ieu
N-Asetil-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylcytidine (ACI)
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 8.87 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 27.8 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 171 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 515 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 650 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 668 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 668 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 657 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 560 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 229 | 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 | 48.6 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 152 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 935 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 2820 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 3560 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 3660 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 3660 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 3600 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 3070 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1250 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 2.64 | pH 2; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| logD | 3.43 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 3.91 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 4.01 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 4.02 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 4.02 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.01 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 3.94 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 3.55 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 4.021±0.768 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 1,3 x 10-3 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,10 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,032 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,2 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,7 x 10-3 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,4 x 10-3 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,3 x 10-3 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,3 x 10-3 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,3 x 10-3 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,6 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,9 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,3 x 10-3 g/L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 2,2 x 10-6 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,7 x 10-4 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-5 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,6 x 10-6 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,9 x 10-6 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,3 x 10-6 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,2 x 10-6 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,2 x 10-6 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,2 x 10-6 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,6 x 10-6 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,4 x 10-6 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 2,2 x 10-6 mol / L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 601.65 | ||
| pKa | 10.19±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Suhu Dasar: 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 | 1,28±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 466,5±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 | 11 | (1) ACD | |
| H Akséptor | 11 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Donor / Akséptor Jumlah | 13 | (1) ACD | |
| logP | 4.021±0.768 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 601.65 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 128 A2 | (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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