ChemSpider 2D Image | 1-{2-O-Acetyl-3-C-[(benzoyloxy)methyl]-3,5-di-O-benzyl-alpha-D-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C34H34N2O9

1-{2-O-Acetyl-3-C-[(benzoyloxy)methyl]-3,5-di-O-benzyl-α-D-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID9961531

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{2-O-Acetyl-3-C-[(benzoyloxy)methyl]-3,5-di-O-benzyl-α-D-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{2-O-Acetyl-3-C-[(benzoyloxy)methyl]-3,5-di-O-benzyl-α-D-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2-O-Acétyl-3-C-[(benzoyloxy)méthyl]-3,5-di-O-benzyl-α-D-arabinofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-O-acetyl-3-C-[(benzoyloxy)methyl]-3,5-bis-O-(phenylmethyl)-α-D-arabinofuranosyl]-5-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3319.06
ACD/KOC (pH 5.5): 11532.58
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3296.28
ACD/KOC (pH 7.4): 11453.43
Polar Surface Area: 130 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 457.5±5.0 cm3

Click to predict properties on the Chemicalize site


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