ChemSpider 2D Image | 9H-Fluoren-9-ylmethyl {2-[(1R,3R,4R)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-2-oxoethyl}carbamate | C49H46N4O9

9H-Fluoren-9-ylmethyl {2-[(1R,3R,4R)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-2-oxoethyl}carbamate

  • Molecular FormulaC49H46N4O9
  • Average mass834.911 Da
  • Monoisotopic mass834.326477 Da
  • ChemSpider ID26993658

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{2-[(1R,3R,4R)-1-{[Bis(4-méthoxyphényl)(phényl)méthoxy]méthyl}-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-2-oxoéthyl}carbamate de 9H-fluorén-9-ylméthyle [French] [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl {2-[(1R,3R,4R)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-2-oxoethyl}carbamate [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl-{2-[(1R,3R,4R)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-2-oxoethyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(1R,3R,4R)-1-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-2-oxoethyl]-, 9H-fluoren-9-ylmeth yl ester [ACD/Index Name]
(1R,3R,4R,7S)-1-(4,4'-Dimethoxytrityloxymethyl)-5-[N-(fluoren-9-ylmethoxycarbonyl)glycyl]-3-(thymin-1-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 227.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 310937.38
ACD/KOC (pH 5.5): 297317.41
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 309227.94
ACD/KOC (pH 7.4): 295682.84
Polar Surface Area: 145 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 634.1±3.0 cm3

Click to predict properties on the Chemicalize site


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