ChemSpider 2D Image | (2R)-2-[(2-Imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-4-(D-valyloxy)butyl stearate | C33H58N6O5

(2R)-2-[(2-Imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-4-(D-valyloxy)butyl stearate

  • Molecular FormulaC33H58N6O5
  • Average mass618.851 Da
  • Monoisotopic mass618.446899 Da
  • ChemSpider ID68025421

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(2-Imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-4-(D-valyloxy)butyl stearate [ACD/IUPAC Name]
(2R)-2-[(2-Imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-4-(D-valyloxy)butylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-4-[(2R)-2-amino-3-methyl-1-oxobutoxy]-2-[(1,2,3,6-tetrahydro-2-imino-6-oxo-9H-purin-9-yl)methyl]butyl ester [ACD/Index Name]
Stéarate de (2R)-2-[(2-imino-6-oxo-1,2,3,6-tétrahydro-9H-purin-9-yl)méthyl]-4-(D-valyloxy)butyle [French] [ACD/IUPAC Name]
Valomaciclovir stearate

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: 1.564
Molar Refractivity: 171.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 841.93
ACD/KOC (pH 5.5): 891.74
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 57774.53
ACD/KOC (pH 7.4): 61192.92
Polar Surface Area: 161 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 526.4±7.0 cm3

Click to predict properties on the Chemicalize site


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