ChemSpider 2D Image | 15G256a-2 | C32H40O16

15G256a-2

  • Molecular FormulaC32H40O16
  • Average mass680.650 Da
  • Monoisotopic mass680.231628 Da
  • ChemSpider ID10479415

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R)-3-({2-[(2R)-2-{[(3R)-3-({2-[(2R)-2-{[(3S)-3,4-Dihydroxybutanoyl]oxy}propyl]-4,6-dihydroxybenzoyl}oxy)butanoyl]oxy}propyl]-4,6-dihydroxybenzoyl}oxy)butanoic acid [ACD/IUPAC Name]
(3R)-3-({2-[(2R)-2-{[(3R)-3-({2-[(2R)-2-{[(3S)-3,4-Dihydroxybutanoyl]oxy}propyl]-4,6-dihydroxybenzoyl}oxy)butanoyl]oxy}propyl]-4,6-dihydroxybenzoyl}oxy)butansäure [German] [ACD/IUPAC Name]
15G256a-2
Acide (3R)-3-({2-[(2R)-2-{[(3R)-3-({2-[(2R)-2-{[(3S)-3,4-dihydroxybutanoyl]oxy}propyl]-4,6-dihydroxybenzoyl}oxy)butanoyl]oxy}propyl]-4,6-dihydroxybenzoyl}oxy)butanoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(2R)-2-[(3S)-3,4-dihydroxy-1-oxobutoxy]propyl]-4,6-dihydroxy-, (1R)-3-[(1R)-2-[2-[[(1R)-2-carboxy-1-methylethoxy]carbonyl]-3,5-dihydroxyphenyl]-1-methylethoxy]-1-methyl-3-oxopropyl es ter [ACD/Index Name]
15G256α-2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 915.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 287.2±27.8 °C
Index of Refraction: 1.597
Molar Refractivity: 164.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 12.40
ACD/KOC (pH 5.5): 70.85
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 482.0±3.0 cm3

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