C43H55N4O10P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
163878-63-5
H302
Proprietates Physicae Claves | Valor | Conditio |
Pondus Moleculare | 818.89 | - |
pKa (Praedictum) | 9.55±0.10 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
N#CCCOP(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)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](OCCOC)[C@@H](O¹)N²C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43 (32-13-10-9-11-14-32, 33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34 / h 9-11, 13-22, 27, 29-30, 37-39, 41 H, 12, 24-26, 28 H₂, 1-8 H₂, (H, 45, 48, 49) / t 37-, 38-, 39-, 41-, 58? / m¹/s¹.
Clavis InChI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
XVII Alia Nomina Huius Substantiae
Uridinum, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-5-methyl-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphor
amidita] (9CI); 10: PN: US20030212017 PAGINA: 18 RNA vindicata; 11: PN: US20030211606 PAGINA: 18 RNA vindicata; 13: PN: US20040
005569 PAGINA: 21 RNA vindicata; 13: PN: US20040006030 PAGINA: 22 RNA vindicata; 13: PN: US20040014048 PAGINA: 19 RNA vindicata; 13: PN: US20040014049 PAGINA: 19 RNA vindicata; 14: PN: US20030198965 PAGINA: 19 RNA vindicata; 14: PN: US20040005565 PAGINA: 17-22 RNA vindicata; 14: PN: US20040005570 PAGINA: 19 RNA vindicata; 14: PN: US20040014047 PAGINA: 19 RNA vindicata; 14: PN: US20040
014699 PAGINA: 19 RNA vindicata; 15: PN: US20040014050 PAGINA: 19 RNA vindicata; 15: PN: US20040014051 PAGINA: 21 RNA vindicata; 15:
PN: WO03106645 PAGINA: 69 RNA vindicata; 16: PN: US20040006029 PAGINA: 22 RNA vindicata; 87: PN: US20040005707 PAGINA: 19 RNA vindicata
Spectra praesto sunt
1H NMR
13C NMR
Hetero NMR
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
Possessio | Valor | Conditio | Fons |
Factor Bioconcentrationis | 348 | pH 1; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 2810 | pH 2; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 21100 | pH 3; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 63100 | pH 4; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 78800 | pH 5; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 80800 | pH 6; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 80800 | pH 7; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 78800 | pH 8; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 63400 | pH 9; Temperatura: 25°C | (1) ACD |
Factor Bioconcentrationis | 21800 | 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 | 487 | pH 1; Temperatura: 25°C | (1) ACD |
Koc | 3940 | pH 2; Temperatura: 25°C | (1) ACD |
Koc | 29600 | pH 3; Temperatura: 25°C | (1) ACD |
Koc | 88400 | pH 4; Temperatura: 25°C | (1) ACD |
Possessio | Valor | Conditio | Fons |
Koc | 1.10 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
Koc | 1.13 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
Koc | 1.13 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
Koc | 1.10 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
Koc | 88800 | pH 9; Temperatura: 25°C | (1) ACD |
Koc | 30600 | pH 10; Temperatura: 25°C | (1) ACD |
logD | 4.39 | pH 1; Temperatura: 25°C | (1) ACD |
logD | 5.30 | pH 2; Temperatura: 25°C | (1) ACD |
logD | 6.18 | pH 3; Temperatura: 25°C | (1) ACD |
logD | 6.65 | pH 4; Temperatura: 25°C | (1) ACD |
logD | 6.75 | pH 5; Temperatura: 25°C | (1) ACD |
logD | 6.76 | pH 6; Temperatura: 25°C | (1) ACD |
logD | 6.76 | pH 7; Temperatura: 25°C | (1) ACD |
logD | 6.75 | pH 8; Temperatura: 25°C | (1) ACD |
logD | 6.65 | pH 9; Temperatura: 25°C | (1) ACD |
logD | 6.19 | pH 10; Temperatura: 25°C | (1) ACD |
logP | 6.761±0.669 | Temperatura: 25°C | (1) ACD |
Solubilitas Intrinseca Massae | 2.0 × 10⁻⁴ g/L | Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 0.046 g/L | pH 1; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 5.7 × 10⁻³ g/L | pH 2; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 7.6 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 2.5 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 2.0 × 10⁻⁴ g/L | pH 5; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 2.0 × 10⁻⁴ g/L | pH 6; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 2.0 × 10⁻⁴ g/L | pH 7; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 2.0 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 2.5 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 7.4 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
Solubilitas Massae | 2.0 × 10⁻⁴ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
Solubilitas Intrinseca Molaris | 2.4 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 5.6 × 10⁻⁵ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 7.0 × 10⁻⁶ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
Possessio | Valor | Conditio | Fons |
Solubilitas Molaris | 9.3 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 3.1 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 2.5 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 2.4 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 2.4 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 2.5 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 3.1 × 10⁻⁷ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 9.0 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
Solubilitas Molaris | 2.4 × 10⁻⁷ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
Pondus Moleculare | 818.89 | ||
pKa | 9.55±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 | 21 | (1) ACD | |
Acceptores H | 14 | (1) ACD | |
Donatores H | 1 | (1) ACD | |
Summa Donatoris/Acceptoris H | 15 | (1) ACD | |
logP | 6.761±0.669 | Temperatura: 25°C | (1) ACD |
Pondus Moleculare | 818.89 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Possessio | Valor | Fons Conditionis |
Area Superficialis Polaris | 164 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
Fons Enuntiationis Periculi Codicis | |
H302 Nocivum si deglutitur. | Classificatio et Inscriptiones Agentiae Chemicae Europaeae (ECHA) Inventarium - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Agentia Chemica Europaea (ECHA) Inventarium Classificationis et Inscriptionis - Classificatio et Inscriptionis Notificatae - Notificationes Gravissimae |