![C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI) Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 560.60 | - |
| ʻAiʻa (Wanamua) | 1.35±0.1 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)C2OC
ʻIsomeric SMILES C(OC[C@H]1O[C@H]([C@H](OC)[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/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38- 2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27 -,28-,29-/m1/s1
InChI Ki
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Nā inoa ʻē aʻe no kēia mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI); 5′-O-(4,4′-Dimethoxytriyl)-2′-O-methyluridine
Loaʻa ka Spectra
1H NMR
Mass
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1240 | pH 1; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1240 | pH 2; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1240 | pH 3; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1240 | pH 4; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1240 | pH 5; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1240 | pH 6; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1230 | pH 7; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1190 | pH 8; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 861 | pH 9; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 238 | 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 | 5690 | pH 1; Mahana: 25 °C | (1) ACD |
| Koc | 5690 | pH 2; Mahana: 25 °C | (1) ACD |
| Koc | 5690 | pH 3; Mahana: 25 °C | (1) ACD |
| Koc | 5690 | pH 4; Mahana: 25 °C | (1) ACD |
| Koc | 5690 | pH 5; Mahana: 25 °C | (1) ACD |
| Koc | 5690 | pH 6; Mahana: 25 °C | (1) ACD |
| Koc | 5670 | pH 7; Mahana: 25 °C | (1) ACD |
| Koc | 5450 | pH 8; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 3960 | pH 9; Mahana: 25 °C | (1) ACD |
| Koc | 1100 | pH 10; Mahana: 25 °C | (1) ACD |
| logD | 4.37 | pH 1; Mahana: 25 °C | (1) ACD |
| logD | 4.37 | pH 2; Mahana: 25 °C | (1) ACD |
| logD | 4.37 | pH 3; Mahana: 25 °C | (1) ACD |
| logD | 4.37 | pH 4; Mahana: 25 °C | (1) ACD |
| logD | 4.37 | pH 5; Mahana: 25 °C | (1) ACD |
| logD | 4.37 | pH 6; Mahana: 25 °C | (1) ACD |
| logD | 4.37 | pH 7; Mahana: 25 °C | (1) ACD |
| logD | 4.35 | pH 8; Mahana: 25 °C | (1) ACD |
| logD | 4.21 | pH 9; Mahana: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Mahana: 25 °C | (1) ACD |
| logP | 4.372±0.582 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 3.7 x 10-4 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 x 10-4 g/L | pH 1; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 x 10-4 g/L | pH 2; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 x 10-4 g/L | pH 3; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 x 10-4 g/L | pH 4; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 x 10-4 g/L | pH 5; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 x 10-4 g/L | pH 6; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.7 x 10-4 g/L | pH 7; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.8 x 10-4 g/L | pH 8; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 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 | 3.7 x 10-4 g/L | Wai hoʻopaʻa ʻole pH 6.99; Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 6.6 x 10-7 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 6.6 x 10-7 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.8 x 10-7 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 9.4 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 | 6.6 x 10-7 mol/L | Wai hoʻopaʻa ʻole pH 6.99; Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 560.60 | ||
| 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 | 1.35±0.1 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 412.9±5.0 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 | 2 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 12 | (1) ACD | |
| logP | 4.372±0.582 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 560.60 |
(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 | 116 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
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