ChemSpider 2D Image | 1-hexanoyl-sn-glycero-3-phosphate | C9H19O7P

1-hexanoyl-sn-glycero-3-phosphate

  • Molecular FormulaC9H19O7P
  • Average mass270.217 Da
  • Monoisotopic mass270.086853 Da
  • ChemSpider ID20059601
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Hydroxy-3-(phosphonooxy)propyl hexanoate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-(phosphonooxy)propyl-hexanoat [German] [ACD/IUPAC Name]
1-hexanoyl-sn-glycero-3-phosphate
Hexanoate de (2R)-2-hydroxy-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
Hexanoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester [ACD/Index Name]
1-caproyl-sn-glycero-3-phosphate
44607-13-8 secondary RN [RN]
PX4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 463.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 233.9±31.5 °C
Index of Refraction: 1.487
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 204.0±3.0 cm3

Click to predict properties on the Chemicalize site






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