ChemSpider 2D Image | (S)-valganciclovir | C14H22N6O5

(S)-valganciclovir

  • Molecular FormulaC14H22N6O5
  • Average mass354.362 Da
  • Monoisotopic mass354.165161 Da
  • ChemSpider ID23311716

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl L-valinate [ACD/IUPAC Name]
(2S)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl-L-valinat [German] [ACD/IUPAC Name]
(S)-valganciclovir
175865-64-2 [RN]
L-Valinate de (2S)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)méthoxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
L-Valine, (2S)-2-[(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester [ACD/Index Name]
(S)-((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl) 2-amino-3-methylbutanoate
175865-60-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400177/
UNII-GCU97FKN3R
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L74941S4HN [DBID]
UNII:L74941S4HN [DBID]
UNII-L74941S4HN [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 629.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.3±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 83.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 167 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 222.5±7.0 cm3

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