![C33H35N3O8 Sîtîdîn, N-acetil-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'-O-metîl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C33H35N3O8 Sîtîdîn, N-acetil-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'-O-metîl- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 601.65 | - |
| Density (Pêşbîn kirin) | 1,28±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 10,19±0,20 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî 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
PÊŞÎNÊN ÎZOMERÎ 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)C=C4)C5=CC=CC=C5
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-,31-/m1/s1
InChI Key
FINUHOJILDNELQ-PMFUCWTESA-N
1 Navê din ji bo vê madeyê
N-Acetil-5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-methylcytidine (ACI)
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 8.87 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 27.8 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 171 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 515 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 650 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 668 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 668 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 657 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 560 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 229 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 48.6 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 152 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 935 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 2820 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 3560 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 3660 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 3660 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 3600 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 3070 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 1250 | pH 10; Germ: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 2.64 | pH 2; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 3.43 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 3.91 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 4.01 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 4.02 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 4.02 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 4.01 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 3.94 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 3.55 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 4,021±0,768 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 1,3 x 10-3 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,10 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,032 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,2 x 10-3 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-3 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,4 x 10-3 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-3 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-3 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-3 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,6 x 10-3 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,9 x 10-3 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-3 g/L | pH ava nebuffered 6,99; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 2,2 x 10-6 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,7 x 10-4 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,3 x 10-5 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 8,6 x 10-6 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-6 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-6 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,2 x 10-6 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,2 x 10-6 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,2 x 10-6 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,6 x 10-6 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,4 x 10-6 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 2,2 x 10-6 mol/L | pH ava nebuffered 6,99; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 601.65 | ||
| pKa | 10,19±0,20 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,28±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 466,5±7,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 11 | (1) ACD | |
| H Qebûrker | 11 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 13 | (1) ACD | |
| logP | 4,021±0,768 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 601.65 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 128 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
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