![C39H46FN4O8P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI) Imago Praecipua](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
146954-75-8
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 748.78 | - |
| pKa (Praedictum) | 9.39±0.10 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(=O)NC5=O)N(C(C)C)C(C)C
Subrisus Isomerici
C(OC[C@@H]¹[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[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/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Clavis InChI
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Aliud Nomen pro hac Substantia
Uridinum, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramiditum] (9CI)
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 457 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3690 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 27700 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 82900 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.04 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.06 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.06 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.02 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 76200 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 22000 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Fons Conditionis Valoris Proprietatis |
| Koc 592 pH 1; Temperatura: 25°C (1) ACD |
| Koc 4790 pH 2; Temperatura: 25°C (1) ACD |
| Koc 36000 pH 3; Temperatura: 25°C (1) ACD |
| Koc 1.07 × 10⁵ pH 4; Temperatura: 25°C (1) ACD |
| Koc 1.34 × 10⁵ pH 5; Temperatura: 25°C (1) ACD |
| Koc 1.38 x 10⁵ pH 6; Temperatura: 25°C (1) ACD |
| Koc 1.37 x 10⁵ pH 7; Temperatura: 25°C (1) ACD |
| Koc 1.33 × 10⁵ pH 8; Temperatura: 25°C (1) ACD |
| Koc 98800 pH 9; Temperatura: 25°C (1) ACD |
| Koc 28600 pH 10; Temperatura: 25°C (1) ACD |
| logD 4.55 pH 1; Temperatura: 25°C (1) ACD |
| logD 5.46 pH 2; Temperatura: 25°C (1) ACD |
| logD 6.33 pH 3; Temperatura: 25°C (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | 6.81 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 6.91 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 6.92 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 6.92 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 6.90 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 6.77 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 6.23 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 6.918±0.641 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 2.2 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.1 × 10⁻³ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.3 × 10⁻⁴ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.2 × 10⁻⁵ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.8 × 10⁻⁵ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.2 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.2 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.2 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.2 × 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.0 × 10⁻⁵ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.0 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.2 × 10⁻⁵ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 2.9 × 10⁻⁸ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.8 × 10⁻⁶ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.4 × 10⁻⁷ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.7 × 10⁻⁸ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.0 × 10⁻⁸ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁸ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁸ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.0 × 10⁻⁸ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.0 × 10⁻⁸ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁸ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Pondus Moleculare | 748.78 | ||
| pKa | 9.39±0.10 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.45±0.70 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 17 | (1) ACD | |
| Acceptores H | 12 | (1) ACD | |
| Donatores H | 1 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 13 | (1) ACD | |
| logP | 6.918±0.641 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 748.78 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 145 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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