C30H30N2O8 Uridin, 5′-O-[bis(4-methoxyphenyl)fenilmetil]- (9CI, ACI)
Sifat Fizikal Utama | Nilai | keadaan |
Berat Molekul | 546.57 | - |
Takat Lebur (Eksperimen) | 111-112 °C | Pelarut: Etil asetat |
Ketumpatan (Diramalkan) | 1.343±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
pKa (Diramalkan) | 9.39±0.10 | Suhu Paling Berasid: 25 °C |
SENYUMAN 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
SENYUMAN Isomerik 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
Kunci InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Nama Lain untuk Bahan ini
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)uridine
Hartanah tersedia |
terma |
terma
Harta benda | Nilai | keadaan | Sumber | |
Takat Lebur | 122-123 °C | (1) CAS | ||
Takat Lebur | 111-112 °C | Pelarut: | Etil asetat | (2) CAS |
Takat Lebur | Lihat Teks Penuh | (3) CAS |
(1) Zekri, Negar; Buletin Persatuan Kimia Ethiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Jurnal Kimia Karbohidrat, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Huruf Tetrahedron, (2004), 45(36), 6737-6739, CAplus
Spectra tersedia
1H NMR
13C NMR
Mass
Hartanah tersedia |
Biologi |
kimia |
Ketumpatan |
Lipinski |
Berkaitan Struktur |
Biologi
Harta benda | Nilai | keadaan | Sumber |
Faktor Biopekatan | 904 | pH 1; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 904 | pH 2; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 904 | pH 3; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 904 | pH 4; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 904 | pH 5; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 904 | pH 6; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 900 | pH 7; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 861 | pH 8; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 602 | pH 9; Suhu: 25 °C | (1) ACD |
Harta benda | Nilai | keadaan | Sumber |
Faktor Biopekatan | 156 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
kimia
Harta benda | Nilai | keadaan | 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 |
Keterlarutan Intrinsik Jisim | 3.2 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
Harta benda | Nilai | keadaan | Sumber |
Keterlarutan Jisim | 3.3 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 4.8 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 1.9 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.2 x 10-4 g/L | Air Tidak Tertimbal pH 6.99; Suhu: 25 °C | (1) ACD |
Keterlarutan Intrinsik Molar | 5.8 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.1 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 8.7 x 10-7 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 3.4 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 5.8 x 10-7 mol/L | Air Tidak Tertimbal pH 6.99; Suhu: 25 °C | (1) ACD |
Berat Molekul | 546.57 | ||
pKa | 9.39±0.10 | Suhu Paling Berasid: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
Harta benda | Nilai | keadaan | Sumber |
Ketumpatan | 1.343±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
Isipadu Molar | 406.9±3.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Harta benda | Nilai | keadaan | Sumber |
Bon Boleh Putar Bebas | 11 | (1) ACD | |
H Penerima | 10 | (1) ACD | |
H Penderma | 3 | (1) ACD | |
H Jumlah Penderma/Penerima | 13 | (1) ACD | |
logP | 4.192±0.628 | Suhu: 25 °C | (1) ACD |
Harta benda | Nilai | keadaan | Sumber |
Berat Molekul | 546.57 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
Harta benda | Nilai | keadaan | Sumber |
Kawasan Permukaan Kutub | 127 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1H NMR
13C NMR