![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl N, N-bis(1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl N, N-bis(1-methylethyl) phosphoramidite] (ACI) Image Featured](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl N, N-bis(1-methylethyl) phosphoramidite] (ACI)
CAS Subcriptio Number
110764-79-9
O,
| Key Physical Properties | Precium | Conditio | |
| M. Pondus | 760.81 | - | |
| pKa (Predicta) | 9.39±0.10 | Most acidic Temp: 25 °C |
CANONICI SMILES
N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C
Isomeric SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ H](O1)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/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8- 10,12-22,24,27-28,34,36-38H,11,25-26H2,1-7H3;
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
InChI Key
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Alii nomen huic substantiae
Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI)
Spectra praesto
Mass
Properties praesto
Biological
Chemical
Lipinski
Structure Related
| Property | Precium | Conditio | Source |
| Bioconcentration Factor | 254 | pH 1; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 2050 | pH 2; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 15400 | pH 3; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 46000 | pH 4; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 57500 | pH 5; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 58900 | pH 6; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 58900 | pH 7; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 56800 | pH 8; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 42300 | pH 9; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 12200 | pH 10; Temp: 25 °C | (1) ACD |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Precium | Conditio | Source |
| Koc | 389 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 3140 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 23600 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 70500 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 88100 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 90300 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 90200 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 87100 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 64800 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 18700 | pH 10; Temp: 25 °C | (1) ACD |
| Property | Precium | Conditio | Source |
| logD | 4.21 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 5.12 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 6.00 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 6.47 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 6.57 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 6.58 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 6.58 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 6.56 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 6.44 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 5.90 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 6.581±0.646 | Temp: 25 °C | (1) ACD |
| Missa Solubilitas intrinseca | 8.4 x 10-5 g/L | Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 0.019 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 2.4 x 10-3 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 3.1 x 10-4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 1.1 x 10-4 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 8.4 x 10-5 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 8.4 x 10-5 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 8.4 x 10-5 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 8.4 x 10-5 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 1.1 x 10-4 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 4.0 x 10-4 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 8.4 x 10-5 g/L | Aquam gratuitam pH 7.00; Temp: 25 °C | (1) ACD |
| Molares Intrinsicas Solubility | 1.1 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molares Solubility | 2.5 x 10-5 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molares Solubility | 3.1 x 10-6 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molares Solubility | 4.1 x 10-7 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.4 x 10-7 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.1 x 10-7 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.1 x 10-7 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.1 x 10-7 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.1 x 10-7 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Property | Precium | Conditio | Source |
| Molares Solubility | 1.5 x 10-7 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molares Solubility | 5.2 x 10-7 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.1 x 10-7 mol/L | Aquam gratuitam pH 7.00; Temp: 25 °C | (1) ACD |
| M. Pondus | 760.81 | ||
| pKa | 9.39±0.10 | Most acidic Temp: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Most Basic Temp: 25 °C | (1) ACD |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Precium | Conditio | Source |
| Sponte rotatable vincula | 18 | (1) ACD | |
| H. Acceptores | 13 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 6.581±0.646 | Temp: 25 °C | (1) ACD |
| M. Pondus | 760.81 |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Precium | Conditio Source |
| Superficies Polar Area | 155 A2 | (1) ACD |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto
1 H NMR
13 C NMR
| Code | Aleam Statement | Source |
| H335 | Sit irritatio respiratorii faciam | Peritus Curated |
| H331 | Toxicus haustus | Peritus Curated |
| H319 | Causa gravis oculi irritatio | Peritus Curated |
| H315 | Causa cutis irritationem | Peritus Curated |
| Code | Aleam Statement | Source |
| H311 | Toxicus in contactu cum pelle | Peritus Curated |
| H301+H311+H331 | Toxicus absorptus, in contactu cum cute vel attracto | Peritus Curated |
| H301 | Toxicus absorptus | Peritus Curated |
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