ChemSpider 2D Image | 1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-3-C-(2,2-dimethylpropanoyl)-beta-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C36H40N2O8

1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-3-C-(2,2-dimethylpropanoyl)-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID8683618

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-3-C-(2,2-dimethylpropanoyl)-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-desoxy-3-C-(2,2-dimethylpropanoyl)-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{5-O-[Bis(4-méthoxyphényl)(phényl)méthyl]-2-désoxy-3-C-(2,2-diméthylpropanoyl)-β-D-thréo-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-3-C-(2,2-dimethyl-1-oxopropyl)-β-D-threo-pentofuranosyl]-5-methyl- [ACD/Index Name]

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: 1.585
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5206.06
ACD/KOC (pH 5.5): 15916.88
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5166.78
ACD/KOC (pH 7.4): 15796.77
Polar Surface Area: 124 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 507.1±3.0 cm3

Click to predict properties on the Chemicalize site


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