![C30H29FN2O7 Uridin, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridine, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI) Gambar Unggul](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridin, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 548.56 | - |
| Titik Lebur (Percobaan) | 118-120 °C | - |
| Kapadetan (diprediksi) | 1,38±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 9.39±0.10 | Suhu Paling Asam: 25 °C |
SMILES 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)C2F
Isomerik SMILES C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C
InChI
InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7 -19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26-,27-,28-/m1/s1
Konci InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ngaran séjén pikeun Zat ieu
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Pasipatan sadia
Termal
Termal
| Harta | Nilai | kaayaan | Sumber |
| Titik lebur | 118-120 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nukléosida, Nukléotida & Asam Nukléat, (2018), 37(4), 232-247, CAplus
Spéktra sadia
1H NMR
13C NMR
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 3580 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3570 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3430 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2500 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 689 | 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 | 12200 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 12200 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 12200 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 12200 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 12200 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 12200 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 12100 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 11700 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 8480 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 2340 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.98 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 4.98 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 4.98 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 4.98 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 4.98 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 4.98 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 4.98 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.96 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 4.82 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 4.26 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 4.979±0.563 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 9,9 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,9 x 10-5 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,4 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,0 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Massa kaleyuran | 9,9 x 10-5 g/L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 1,8 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,5 x 10-7 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 9,2 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 548.56 | ||
| 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 | 1,38±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 395,8±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 | 10 | (1) ACD | |
| H Akséptor | 9 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Donor / Akséptor Jumlah | 11 | (1) ACD | |
| logP | 4.979±0.563 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 548.56 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 107 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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