Found 40 results

Search term: MF = 'C_{24}H_{28}O_{12}'
ChemSpider 2D Image | vandateroside I, (-)- | C24H28O12

vandateroside I, (-)-

  • Molecular FormulaC24H28O12
  • Average mass508.472 Da
  • Monoisotopic mass508.158081 Da
  • ChemSpider ID26630359

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-4-{[4-(β-D-Glucopyranosyloxy)benzyl]oxy}-2-hydroxy-2-(4-hydroxybenzyl)-4-oxobutanoic acid [ACD/IUPAC Name]
(2R)-4-{[4-(β-D-Glucopyranosyloxy)benzyl]oxy}-2-hydroxy-2-(4-hydroxybenzyl)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R)-4-{[4-(β-D-glucopyranosyloxy)benzyl]oxy}-2-hydroxy-2-(4-hydroxybenzyl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-2-[(4-hydroxyphenyl)methyl]-, 4-[[4-(β-D-glucopyranosyloxy)phenyl]methyl] ester, (2R)- [ACD/Index Name]
vandateroside I, (-)-
(-)-4-(4'-β-D-glucopyranosyloxybenzyl)-2-(p-hydroxybenzyl)malate
(-)-4-(4'-β-D-glucopyranosyloxybenzyl)-eucomate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 849.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 288.7±27.8 °C
Index of Refraction: 1.656
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 330.2±3.0 cm3

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