ChemSpider 2D Image | 2-[4-(beta-D-glycero-Hexopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-lactoyl-beta-D-glycero-hexopyranoside | C30H34O18

2-[4-(β-D-glycero-Hexopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-lactoyl-β-D-glycero-hexopyranoside

  • Molecular FormulaC30H34O18
  • Average mass682.580 Da
  • Monoisotopic mass682.174500 Da
  • ChemSpider ID24844556

  • defined stereocentres - 4 of 11 defined stereocentres

More details:

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

2-[4-(β-D-glycero-Hexopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-lactoyl-β-D-glycero-hexopyranoside [ACD/IUPAC Name]
2-[4-(β-D-glycero-Hexopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-2-O-lactoyl-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
2-O-Lactoyl-β-D-glycéro-hexopyranoside de 2-[4-(β-D-glycéro-hexopyranosyloxy)phényl]-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glycero-hexopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[2-O-(2-hydroxy-1-oxopropyl)-β-D-glycero-hexopyranosyl]oxy]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1003.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.4±3.0 kJ/mol
Flash Point: 323.2±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.40
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 114.8±5.0 dyne/cm
Molar Volume: 385.9±5.0 cm3

Click to predict properties on the Chemicalize site


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