ChemSpider 2D Image | 1-[(1R,3R,4R,7S)-1-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-hydroxy-5-palmitoyl-2-oxa-5-azabicyclo[2.2.1]hept-3-yl]-5-methyl-2,4(1H,3H)-pyrimidinedione | C48H63N3O8

1-[(1R,3R,4R,7S)-1-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-hydroxy-5-palmitoyl-2-oxa-5-azabicyclo[2.2.1]hept-3-yl]-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC48H63N3O8
  • Average mass810.029 Da
  • Monoisotopic mass809.461487 Da
  • ChemSpider ID26993659

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(1R,3R,4R,7S)-1-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-hydroxy-5-palmitoyl-2-oxa-5-azabicyclo[2.2.1]hept-3-yl]-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(1R,3R,4R,7S)-1-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-hydroxy-5-palmitoyl-2-oxa-5-azabicyclo[2.2.1]hept-3-yl]-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(1R,3R,4R,7S)-1-{[Bis(4-méthoxyphényl)(phényl)méthoxy]méthyl}-7-hydroxy-5-palmitoyl-2-oxa-5-azabicyclo[2.2.1]hept-3-yl]-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-7-hydroxy-5-(1-oxohexadecyl)-2-oxa-5-azabicyclo[2.2.1]hept-3-yl]-5-methyl- [ACD/Index Name]
(1R,3R,4R,7S)-1-(4,4'-Dimethoxytrityloxymethyl)-5-(hexadecanoyl)-7-hydroxy-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 227.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 12.76
ACD/LogD (pH 5.5): 10.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9847180.00
ACD/LogD (pH 7.4): 10.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9768570.00
Polar Surface Area: 127 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 692.6±3.0 cm3

Click to predict properties on the Chemicalize site


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