ChemSpider 2D Image | (2S)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl valinate | C14H22N6O5

(2S)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl valinate

  • Molecular FormulaC14H22N6O5
  • Average mass354.362 Da
  • Monoisotopic mass354.165161 Da
  • ChemSpider ID28536708

  • defined stereocentres - 1 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 valinate [ACD/IUPAC Name]
(2S)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropylvalinat [German] [ACD/IUPAC Name]
Valinate de (2S)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)méthoxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
Valine, (2S)-2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester [ACD/Index Name]
(2S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl 2-amino-3-methylbutanoate
(2S)-2-[(2-AMINO-6-OXO-1H-PURIN-9-YL)METHOXY]-3-HYDROXYPROPYL 2-AMINO-3-METHYLBUTANOATE
[(2S)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] 2-amino-3-methylbutanoate
773-99-9 [RN]
MFCD05662329 [MDL number]
MFCD23701445 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
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

Click to predict properties on the Chemicalize site


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