![118 Re36H44N2O8Si Uridin, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimétilétil)dimétilsilil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimétilétil)dimétilsilil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 Re36H44N2O8Si Uridin, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimétilétil)dimétilsilil]- (9CI, ACI)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 660.83 | - |
| Kapadetan (diprediksi) | 1,24±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)C2O[Si](C)(C)C(C)(C)C
Isomerik SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C( =O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC= C5
InChI
InChI=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28( 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
Konci InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Ngaran séjén pikeun Zat ieu
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytriyl)uridine
Spéktra sadia
1H NMR
13C NMR
Hétéro NMR
Massa
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2.20 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2.12 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,54 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 42500 | 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 | 2.33 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Koc | 2.32 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 2,23 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 44800 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 7.32 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 7.18 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.62 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 7.334±0.643 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 3,5 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,6 x 10-5 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,0 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,9 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-5 g/L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 5,3 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-8 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-8 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-8 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-8 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 5,3 x 10-8 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-8 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-8 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,5 x 10-8 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 7,6 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,8 x 10-7 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,3 x 10-8 mol/L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 660.83 | ||
| 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 | 1,24±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 528,8±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 | 13 | (1) ACD | |
| H Akséptor | 10 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Donor / Akséptor Jumlah | 12 | (1) ACD | |
| logP | 7.334±0.643 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 660.83 |
(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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