ChemSpider 2D Image | Bis[4-(beta-D-glucopyranosyloxy)benzyl] (2R,3S)-2,3-dihydroxy-2-isobutylsuccinate | C34H46O18

Bis[4-(β-D-glucopyranosyloxy)benzyl] (2R,3S)-2,3-dihydroxy-2-isobutylsuccinate

  • Molecular FormulaC34H46O18
  • Average mass742.718 Da
  • Monoisotopic mass742.268433 Da
  • ChemSpider ID161601

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,3S)-2,3-Dihydroxy-2-isobutylsuccinate de bis[4-(β-D-glucopyranosyloxy)benzyle] [French] [ACD/IUPAC Name]
Bis[4-(β-D-glucopyranosyloxy)benzyl] (2R,3S)-2,3-dihydroxy-2-isobutylsuccinate [ACD/IUPAC Name]
Bis[4-(β-D-glucopyranosyloxy)benzyl]-(2R,3S)-2,3-dihydroxy-2-isobutylsuccinat [German] [ACD/IUPAC Name]
Butanedioic acid, 2,3-dihydroxy-2-(2-methylpropyl)-, bis[[4-(β-D-glucopyranosyloxy)phenyl]methyl] ester, (2R,3S)- [ACD/Index Name]
58139-22-3 [RN]
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R,3S)-2,3-dihydroxy-2-(2-methylpropyl)butanedioate
BRD-K30768645-001-01-0
Loroglossin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 947.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 292.7±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 175.3±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.20
Polar Surface Area: 292 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 491.9±3.0 cm3

Click to predict properties on the Chemicalize site


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