ChemSpider 2D Image | Valomaciclovir stearate | C33H58N6O5

Valomaciclovir stearate

  • Molecular FormulaC33H58N6O5
  • Average mass618.851 Da
  • Monoisotopic mass618.446899 Da
  • ChemSpider ID2300861

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4-(L-valyloxy)butyl stearate [ACD/IUPAC Name]
(2R)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-4-(L-valyloxy)butylstearat [German] [ACD/IUPAC Name]
195156-77-5 [RN]
L-Valine (3R)-3-((2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methyl)-4-((1-oxooctadecyl)oxy)butyl Ester
Octadecanoic acid, (2R)-2-[(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)methyl]-4-[(2S)-2-amino-3-methyl-1-oxobutoxy]butyl ester [ACD/Index Name]
Stéarate de (2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)méthyl]-4-(L-valyloxy)butyle [French] [ACD/IUPAC Name]
Valomaciclovir stearate
(2R)-4-{[(2S)-2-AMINO-3-METHYLBUTANOYL]OXY}-2-[(2-AMINO-6-OXO-3H-PURIN-9-YL)METHYL]BUTYL OCTADECANOATE
[(2R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methyl]butyl] octadecanoate
L-Valine, (3R)-3-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methyl)-4-((1-oxooctadecyl)oxy)butyl ester

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

506LI1B3A3 [DBID]
ABT 606 [DBID]
MIV 606 [DBID]
UNII:506LI1B3A3 [DBID]
UNII-506LI1B3A3 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 758.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.4±35.7 °C
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: 8.66
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 5887.15
ACD/KOC (pH 5.5): 3923.21
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 296894.66
ACD/KOC (pH 7.4): 197851.36
Polar Surface Area: 164 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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