ChemSpider 2D Image | 1-{(2R,3S,3aS,7aR)-3a-(Benzyloxy)-7a-[(benzyloxy)methyl]-3-methoxyhexahydro-2H-furo[2,3-c]pyran-2-yl}-3-[(benzyloxy)methyl]-5-methyl-2,4(1H,3H)-pyrimidinedione | C36H40N2O8

1-{(2R,3S,3aS,7aR)-3a-(Benzyloxy)-7a-[(benzyloxy)methyl]-3-methoxyhexahydro-2H-furo[2,3-c]pyran-2-yl}-3-[(benzyloxy)methyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID9702214

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{(2R,3S,3aS,7aR)-3a-(Benzyloxy)-7a-[(benzyloxy)methyl]-3-methoxyhexahydro-2H-furo[2,3-c]pyran-2-yl}-3-[(benzyloxy)methyl]-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{(2R,3S,3aS,7aR)-3a-(Benzyloxy)-7a-[(benzyloxy)methyl]-3-methoxyhexahydro-2H-furo[2,3-c]pyran-2-yl}-3-[(benzyloxy)methyl]-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{(2R,3S,3aS,7aR)-3a-(Benzyloxy)-7a-[(benzyloxy)méthyl]-3-méthoxyhexahydro-2H-furo[2,3-c]pyran-2-yl}-3-[(benzyloxy)méthyl]-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(2R,3S,3aS,7aR)-hexahydro-3-methoxy-3a-(phenylmethoxy)-7a-[(phenylmethoxy)methyl]-2H-furo[2,3-c]pyran-2-yl]-5-methyl-3-[(phenylmethoxy)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.6±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 171.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 8.66
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19608.52
ACD/KOC (pH 5.5): 41126.20
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19608.52
ACD/KOC (pH 7.4): 41126.20
Polar Surface Area: 96 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 481.8±5.0 cm3

Click to predict properties on the Chemicalize site


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