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Search term: 30790822 (Found by CSID)
ChemSpider 2D Image | 2-[(2R,4aS,6S,8aS)-6-(beta-D-Glucopyranosyloxy)-4a-methyl-8-methylenedecahydro-2-naphthalenyl]-2-propanyl beta-D-glucopyranoside | C27H46O12

2-[(2R,4aS,6S,8aS)-6-(β-D-Glucopyranosyloxy)-4a-methyl-8-methylenedecahydro-2-naphthalenyl]-2-propanyl β-D-glucopyranoside

  • Molecular FormulaC27H46O12
  • Average mass562.647 Da
  • Monoisotopic mass562.298950 Da
  • ChemSpider ID30790822

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

2-[(2R,4aS,6S,8aS)-6-(β-D-Glucopyranosyloxy)-4a-methyl-8-methylendecahydro-2-naphthalinyl]-2-propanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-[(2R,4aS,6S,8aS)-6-(β-D-Glucopyranosyloxy)-4a-methyl-8-methylenedecahydro-2-naphthalenyl]-2-propanyl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de 2-[(2R,4aS,6S,8aS)-6-(β-D-glucopyranosyloxy)-4a-méthyl-8-méthylènedécahydro-2-naphtalényl]-2-propanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-[(2R,4aS,6S,8aS)-6-(β-D-glucopyranosyloxy)decahydro-4a-methyl-8-methylene-2-naphthalenyl]-1-methylethyl [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: 750.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.86
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.86
Polar Surface Area: 199 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 401.7±5.0 cm3

Click to predict properties on the Chemicalize site


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