ChemSpider 2D Image | 2-Hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C27H30O13

2-Hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC27H30O13
  • Average mass562.519 Da
  • Monoisotopic mass562.168640 Da
  • ChemSpider ID9909140

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 2-hydroxy-6-oxo-7,8,9,10-tétrahydro-6H-benzo[c]chromén-3-yle [French] [ACD/IUPAC Name]
2-Hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-6-one, 7,8,9,10-tetrahydro-2-hydroxy-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 227.3±25.0 °C
Index of Refraction: 1.582
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 172.10
ACD/KOC (pH 5.5): 1386.10
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 153.35
ACD/KOC (pH 7.4): 1235.06
Polar Surface Area: 170 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 394.3±5.0 cm3

Click to predict properties on the Chemicalize site


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