ChemSpider 2D Image | (6aS,8S,10aS)-2,7,7,10a-Tetramethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-yl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | C29H44O12

(6aS,8S,10aS)-2,7,7,10a-Tetramethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-yl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H44O12
  • Average mass584.653 Da
  • Monoisotopic mass584.283264 Da
  • ChemSpider ID60574317

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(6aS,8S,10aS)-2,7,7,10a-Tetramethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-yl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(6aS,8S,10aS)-2,7,7,10a-Tetramethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-yl-4-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-β-D-glucopyranoside de (6aS,8S,10aS)-2,7,7,10a-tétraméthyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromén-8-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (6aS,8S,10aS)-6a,7,8,9,10,10a-hexahydro-2,7,7,10a-tetramethyl-6H-dibenzo[b,d]pyran-8-yl 4-O-α-D-glucopyranosyl- [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: 780.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.7±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.04
ACD/KOC (pH 5.5): 168.32
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.04
ACD/KOC (pH 7.4): 168.32
Polar Surface Area: 188 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 407.7±5.0 cm3

Click to predict properties on the Chemicalize site


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