C43H55N4O10P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)

productum

C43H55N4O10P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)

Notitiae Fundamentales:


Detalia Producti

Etiquettae Productarum

Detalia Substantiae

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

Alia Nomina et Identificatoria

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 Experimentalia

Spectra praesto sunt
1H NMR
13C NMR
Hetero NMR

Proprietates Praedictae

Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata

Biologicus

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)

Chemica

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)

Lipinski

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)

Structurae Relata

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 Praedicta

Spectra praesto sunt
1H NMR
13C NMR

Declarationes Periculorum GHS

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


  • Praecedens:
  • Deinde:

  • Nuntium tuum hic scribe et nobis mitte.