![C40H49N4O9P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI) Imago Praecipua](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Proprietates Physicae Claves | Valor | Conditio | |
| Pondus Moleculare | 760.81 | - | |
| pKa (Praedictum) | 9.39±0.10 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
N#CCCOP(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
Subrisus Isomerici
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
Clavis InChI
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Aliud Nomen pro hac Substantia
Uridinum, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphoramiditum] (9CI)
Spectra praesto sunt
Missa
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 254 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2050 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 15400 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 46000 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 57500 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 58900 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 58900 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 56800 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 42300 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 12200 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Koc | 389 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 3140 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 23600 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 70500 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 88100 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 90300 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 90200 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 87100 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 64800 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 18700 | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | 4.21 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 5.12 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | sex.00 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 6.47 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 6.57 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 6.58 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 6.58 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 6.56 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 6.44 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 5.90 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 6.581±0.646 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 8.4 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.019 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.4 × 10⁻³ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.1 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.4 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.4 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.4 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.4 × 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.1 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.0 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.4 × 10⁻⁵ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.1 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.5 × 10⁻⁵ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.1 × 10⁻⁶ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.1 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 1.5 × 10⁻⁷ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.2 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 760.81 | ||
| 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 | 18 | (1) ACD | |
| Acceptores H | 13 | (1) ACD | |
| Donatores H | 1 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 14 | (1) ACD | |
| logP | 6.581±0.646 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 760.81 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 155 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
| Codex | Declaratio Periculi | Fons |
| H335 | Irritationem respirationis potest causare | Periti Curati |
| H331 | Toxicum si inhalatur | Periti Curati |
| H319 | Gravem irritationem oculorum efficit | Periti Curati |
| H315 | Irritationem cutis efficit | Periti Curati |
| Codex | Declaratio Periculi | Fons |
| H311 | Toxicum in contactu cum cute | Periti Curati |
| H301+H311+H331 | Toxicum si deglutitur, si cum cute contactum facit, vel si inhalatur. | Periti Curati |
| H301 | Toxicum si deglutitur | Periti Curati |
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