ChemSpider 2D Image | 1-{2-O-Acetyl-3-O-benzoyl-4-[(benzoyloxy)methyl]-5-deoxy-5-(4-methyl-1-piperazinyl)-alpha-L-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C32H36N4O9

1-{2-O-Acetyl-3-O-benzoyl-4-[(benzoyloxy)methyl]-5-deoxy-5-(4-methyl-1-piperazinyl)-α-L-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC32H36N4O9
  • Average mass620.650 Da
  • Monoisotopic mass620.248230 Da
  • ChemSpider ID9585895

  • 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-O-benzoyl-4-[(benzoyloxy)methyl]-5-deoxy-5-(4-methyl-1-piperazinyl)-α-L-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2-O-Acetyl-3-O-benzoyl-4-[(benzoyloxy)methyl]-5-desoxy-5-(4-methyl-1-piperazinyl)-α-L-arabinofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{2-O-Acétyl-3-O-benzoyl-4-[(benzoyloxy)méthyl]-5-désoxy-5-(4-méthyl-1-pipérazinyl)-α-L-arabinofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-O-acetyl-3-O-benzoyl-4-C-[(benzoyloxy)methyl]-5-deoxy-5-(4-methyl-1-piperazinyl)-α-L-arabinofuranosyl]-5-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 8.37
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 53.47
ACD/KOC (pH 7.4): 415.05
Polar Surface Area: 144 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 448.0±5.0 cm3

Click to predict properties on the Chemicalize site


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