ChemSpider 2D Image | 1-{3-Deoxy-3-[4-(ethoxycarbonyl)-1-piperidinyl]-5-O-trityl-beta-D-arabinofuranosyl}-2,4(1H,3H)-pyrimidinedione | C36H39N3O7

1-{3-Deoxy-3-[4-(ethoxycarbonyl)-1-piperidinyl]-5-O-trityl-β-D-arabinofuranosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC36H39N3O7
  • Average mass625.711 Da
  • Monoisotopic mass625.278809 Da
  • ChemSpider ID9203727

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{3-Deoxy-3-[4-(ethoxycarbonyl)-1-piperidinyl]-5-O-trityl-β-D-arabinofuranosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{3-Desoxy-3-[4-(ethoxycarbonyl)-1-piperidinyl]-5-O-trityl-β-D-arabinofuranosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{3-Désoxy-3-[4-(éthoxycarbonyl)-1-pipéridinyl]-5-O-trityl-β-D-arabinofuranosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3-deoxy-3-[4-(ethoxycarbonyl)-1-piperidinyl]-5-O-(triphenylmethyl)-β-D-arabinofuranosyl]- [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: 1.611
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 219.37
ACD/KOC (pH 5.5): 844.31
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2044.94
ACD/KOC (pH 7.4): 7870.56
Polar Surface Area: 118 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 487.2±3.0 cm3

Click to predict properties on the Chemicalize site


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