ChemSpider 2D Image | (2R)-2-Methoxy-3-(octadecyloxy)propyl (1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-isobutoxycyclohexyl hydrogen phosphate | C32H65O10P

(2R)-2-Methoxy-3-(octadecyloxy)propyl (1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-isobutoxycyclohexyl hydrogen phosphate

  • Molecular FormulaC32H65O10P
  • Average mass640.826 Da
  • Monoisotopic mass640.431519 Da
  • ChemSpider ID9988940
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2R)-2-Methoxy-3-(octadecyloxy)propyl (1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-isobutoxycyclohexyl hydrogen phosphate [ACD/IUPAC Name]
(2R)-2-Methoxy-3-(octadecyloxy)propyl-(1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-isobutoxycyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2R)-2-méthoxy-3-(octadécyloxy)propyle et de (1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-isobutoxycyclohexyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2R)-2-methoxy-3-(octadecyloxy)propyl (1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 695.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 374.4±34.3 °C
Index of Refraction: 1.496
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 129.94
ACD/KOC (pH 5.5): 120.98
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 108.27
ACD/KOC (pH 7.4): 100.81
Polar Surface Area: 154 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 581.1±5.0 cm3

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