![C31H32N2O8 Uridin, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 Uridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI) Gambar Unggul](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 Uridin, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 560.60 | - |
| Kapadetan (diprediksi) | 1,35±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 9.39±0.10 | Suhu Paling Asam: 25 °C |
Seuri Canonical O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2OC
Isomerik SMILES C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=CC
InChI
InChI=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8 -20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27-,28-,29-/m1/s1
Konci InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Ngaran séjén pikeun Zat ieu
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI); 5′-O-(4,4′-Dimethoxytrityl)-2′-O-methyluridine
Spéktra sadia
1H NMR
Massa
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 1240 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1230 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1190 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 861 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 238 | 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 | 5690 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 5670 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 5450 | pH 8; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Koc | 3960 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1100 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.37 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 4.37 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 4.37 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 4.37 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 4.37 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 4.37 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 4.37 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.35 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 4.21 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 4.372±0.582 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 3,7 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,8 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,3 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,9 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 6,6 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,6 x 10-7 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,6 x 10-7 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,6 x 10-7 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,6 x 10-7 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,6 x 10-7 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,6 x 10-7 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 6,6 x 10-7 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,8 x 10-7 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 9,4 x 10-7 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,4 x 10-6 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,6 x 10-7 mol / L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 560.60 | ||
| pKa | 9.39±0.10 | Suhu Paling Asam: 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 | 1,35±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 412,9±5,0 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 | 10 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Donor / Akséptor Jumlah | 12 | (1) ACD | |
| logP | 4.372±0.582 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 560.60 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 116 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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