ChemSpider 2D Image | 15G256o | C32H38O15

15G256o

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID10479414

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-4-Oxo-4-{[(3S)-5-oxotetrahydro-3-furanyl]oxy}-2-butanyl 2-[(2R)-2-{[(3R)-3-({2,4-dihydroxy-6-[(2R)-2-hydroxypropyl]benzoyl}oxy)butanoyl]oxy}propyl]-4,6-dihydroxybenzoate [ACD/IUPAC Name]
(2R)-4-Oxo-4-{[(3S)-5-oxotetrahydro-3-furanyl]oxy}-2-butanyl-2-[(2R)-2-{[(3R)-3-({2,4-dihydroxy-6-[(2R)-2-hydroxypropyl]benzoyl}oxy)butanoyl]oxy}propyl]-4,6-dihydroxybenzoat [German] [ACD/IUPAC Name]
15G256o
2-[(2R)-2-{[(3R)-3-({2,4-Dihydroxy-6-[(2R)-2-hydroxypropyl]benzoyl}oxy)butanoyl]oxy}propyl]-4,6-dihydroxybenzoate de (2R)-4-oxo-4-{[(3S)-5-oxotétrahydro-3-furanyl]oxy}-2-butanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(2R)-2-[(3R)-3-[[2,4-dihydroxy-6-[(2R)-2-hydroxypropyl]benzoyl]oxy]-1-oxobutoxy]propyl]-4,6-dihydroxy-, (1R)-1-methyl-3-oxo-3-[[(3S)-tetrahydro-5-oxo-3-furanyl]oxy]propyl ester [ACD/Index Name]
15G256ο

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

Density: 1.5±0.1 g/cm3
Boiling Point: 892.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 282.3±27.8 °C
Index of Refraction: 1.613
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 459.10
ACD/KOC (pH 5.5): 2779.72
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 118.74
ACD/KOC (pH 7.4): 718.95
Polar Surface Area: 233 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 456.4±5.0 cm3

Click to predict properties on the Chemicalize site


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