![C30H30N2O8 Uridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI) Gambar Unggul](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine.jpg)
C30H30N2O8 Uridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 546.57 | - |
| Titik Lebur (Percobaan) | 111-112 °C | Pangleyur: Étil asetat |
| Kapadetan (diprediksi) | 1,343±0,06 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
Isomerik SMILES C(OC[C@H]1O[C@H]([C@H](O)[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/C30H30N2O8/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)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
Konci InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Ngaran séjén pikeun Zat ieu
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI); Uridin, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI); 5′-Dimethoxytriyl uridine; 5′-O-(4,4′-Dimethoxytriyl)uridin
| Pasipatan sadia |
| Termal |
Termal
| Harta | Nilai | kaayaan | Sumber | |
| Titik lebur | 122-123 °C | (1) CAS | ||
| Titik lebur | 111-112 °C | Pangleyur: | Étil asétat | (2) CAS |
| Titik lebur | Tempo téks lengkep | (3) CAS | ||
(1) Zekri, Negar; Bulletin of Chemical Society of Étiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Jurnal Kimia Karbohidrat, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Hurup Tetrahedron, (2004), 45(36), 6737-6739, CAplus
Spéktra sadia
1H NMR
13C NMR
Massa
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 904 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 904 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 904 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 904 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 904 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 904 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 900 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 861 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 602 | pH 9; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 156 | 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 | 4550 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 4550 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 4550 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 4550 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 4540 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 4520 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 4330 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 3030 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 785 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.17 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 4.02 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 3.43 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 4.192±0.628 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 3,2 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,2 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,2 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,2 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,2 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,2 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,2 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,2 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Massa kaleyuran | 3,3 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,8 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 | 3,2 x 10-4 g/L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 5,8 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-7 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 6,1 x 10-7 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,7 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 | 5,8 x 10-7 mol/L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 546.57 | ||
| 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 | 1,343±0,06 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 406,9±3,0 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 | 3 | (1) ACD | |
| H Donor / Akséptor Jumlah | 13 | (1) ACD | |
| logP | 4.192±0.628 | Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Beurat Molekul | 546.57 | ||
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 127 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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