ChemSpider 2D Image | (1R,5R,7R,8S)-5-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-oxabicyclo[3.2.1]oct-8-yl 2-cyanoethyl diisopropylphosphoramidoite | C42H51N4O8P

(1R,5R,7R,8S)-5-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-oxabicyclo[3.2.1]oct-8-yl 2-cyanoethyl diisopropylphosphoramidoite

  • Molecular FormulaC42H51N4O8P
  • Average mass770.850 Da
  • Monoisotopic mass770.344421 Da
  • ChemSpider ID17247779

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,5R,7R,8S)-5-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-oxabicyclo[3.2.1]oct-8-yl 2-cyanoethyl diisopropylphosphoramidoite [ACD/IUPAC Name]
(1R,5R,7R,8S)-5-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-oxabicyclo[3.2.1]oct-8-yl-2-cyanethyl-diisopropylphosphoramidoit [German] [ACD/IUPAC Name]
Diisopropylphosphoramidoite de (1R,5R,7R,8S)-5-{[bis(4-méthoxyphényl)(phényl)méthoxy]méthyl}-7-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-oxabicyclo[3.2.1]oct-8-yle et de 2-cyanoéthyle [French] [ACD/IUPAC Name]
Phosphoramidous acid, N,N-bis(1-methylethyl)-, (1R,5R,7R,8S)-5-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-7-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-6-oxabicyclo[3.2.1]oct-8-yl 2-cyanoethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 55497.65
ACD/KOC (pH 5.5): 86378.02
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 55469.20
ACD/KOC (pH 7.4): 86333.75
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement