C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
Na Waiwai Kino Nui | Waiwai | Kūlana |
Kaumaha Molekala | 546.57 | - |
Lae hehee (Hoʻokolohua) | 111-112 °C | Solvent: Ethyl acetate |
ʻAiʻa (Wanamua) | 1.343±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr |
pKa (Wanamua) | 9.39±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES 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
Isomeric 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
InChI Ki
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Nā inoa ʻē aʻe no kēia mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI); Uridine, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI); 5′-Dimethoxytriyl uridine; 5′-O-(4,4′-Dimethoxytriyl)uridine
Loaʻa nā waiwai |
Māmā |
Māmā
Waiwai | Waiwai | Kūlana | Puna | |
Lae hehee | 122-123 °C | (1) CAS | ||
Lae hehee | 111-112 °C | Mea hoʻoheheʻe: | Ethyl acetate | (2) CAS |
Lae hehee | E nana i ke kikokikona piha | (3) CAS |
(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Ka Nūpepa o Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Nā leka Tetrahedron, (2004), 45(36), 6737-6739, CAplus
Loaʻa ka Spectra
1H NMR
13C NMR
Mass
Loaʻa nā waiwai |
olaola |
Kemika |
ʻO ka mānoanoa |
Lipinski |
Hoʻonohonoho pili |
olaola
Waiwai | Waiwai | Kūlana | Puna |
ʻO ke kumu bioconcentration | 904 | pH 1; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 904 | pH 2; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 904 | pH 3; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 904 | pH 4; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 904 | pH 5; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 904 | pH 6; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 900 | pH 7; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 861 | pH 8; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 602 | pH 9; Mahana: 25 °C | (1) ACD |
Waiwai | Waiwai | Kūlana | Puna |
ʻO ke kumu bioconcentration | 156 | pH 10; Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
Waiwai | Waiwai | Kūlana | Puna |
Koc | 4550 | pH 1; Mahana: 25 °C | (1) ACD |
Koc | 4550 | pH 2; Mahana: 25 °C | (1) ACD |
Koc | 4550 | pH 3; Mahana: 25 °C | (1) ACD |
Koc | 4550 | pH 4; Mahana: 25 °C | (1) ACD |
Koc | 4550 | pH 5; Mahana: 25 °C | (1) ACD |
Koc | 4540 | pH 6; Mahana: 25 °C | (1) ACD |
Koc | 4520 | pH 7; Mahana: 25 °C | (1) ACD |
Koc | 4330 | pH 8; Mahana: 25 °C | (1) ACD |
Koc | 3030 | pH 9; Mahana: 25 °C | (1) ACD |
Koc | 785 | pH 10; Mahana: 25 °C | (1) ACD |
logD | 4.19 | pH 1; Mahana: 25 °C | (1) ACD |
logD | 4.19 | pH 2; Mahana: 25 °C | (1) ACD |
logD | 4.19 | pH 3; Mahana: 25 °C | (1) ACD |
logD | 4.19 | pH 4; Mahana: 25 °C | (1) ACD |
logD | 4.19 | pH 5; Mahana: 25 °C | (1) ACD |
logD | 4.19 | pH 6; Mahana: 25 °C | (1) ACD |
logD | 4.19 | pH 7; Mahana: 25 °C | (1) ACD |
logD | 4.17 | pH 8; Mahana: 25 °C | (1) ACD |
logD | 4.02 | pH 9; Mahana: 25 °C | (1) ACD |
logD | 3.43 | pH 10; Mahana: 25 °C | (1) ACD |
logP | 4.192±0.628 | Mahana: 25 °C | (1) ACD |
Hoʻoheheʻe i loko o ka nui | 3.2 x 10-4 g/L | Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | pH 1; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | pH 2; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | pH 3; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | pH 4; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | pH 5; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | pH 6; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | pH 7; Mahana: 25 °C | (1) ACD |
Waiwai | Waiwai | Kūlana | Puna |
Ka hoʻoheheʻe nui | 3.3 x 10-4 g/L | pH 8; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 4.8 x 10-4 g/L | pH 9; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 1.9 x 10-3 g/L | pH 10; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 3.2 x 10-4 g/L | Wai hoʻopaʻa ʻole pH 6.99; Mahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 5.8 x 10-7 mol/L | Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
Molar Solubility | 6.1 x 10-7 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
Molar Solubility | 8.7 x 10-7 mol/L | pH 9; Mahana: 25 °C | (1) ACD |
Molar Solubility | 3.4 x 10-6 mol/L | pH 10; Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | Wai hoʻopaʻa ʻole pH 6.99; Mahana: 25 °C | (1) ACD |
Kaumaha Molekala | 546.57 | ||
pKa | 9.39±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
Waiwai | Waiwai | Kūlana | Puna |
ʻO ka mānoanoa | 1.343±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
Mola Volume | 406.9±3.0 knm3/mol | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Waiwai | Waiwai | Kūlana | Puna |
Nā Paʻa Hoʻololi Kūʻokoʻa | 11 | (1) ACD | |
H Ka poe e ae | 10 | (1) ACD | |
H Kokua | 3 | (1) ACD | |
H Hāʻawi/Acceptor Sum | 13 | (1) ACD | |
logP | 4.192±0.628 | Mahana: 25 °C | (1) ACD |
Waiwai | Waiwai | Kūlana | Puna |
Kaumaha Molekala | 546.57 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
Waiwai | Waiwai | Kūlana | Puna |
Wahi Polar | 127 A2 | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR