Found 59 results

Search term: MF = 'C_{21}H_{36}O_{7}'
ChemSpider 2D Image | (1R,4aS,5S,6S,8aR)-5-Hydroxy-6-isopropyl-8a-methyl-4-methylenedecahydro-1-naphthalenyl beta-D-glucopyranoside | C21H36O7

(1R,4aS,5S,6S,8aR)-5-Hydroxy-6-isopropyl-8a-methyl-4-methylenedecahydro-1-naphthalenyl β-D-glucopyranoside

  • Molecular FormulaC21H36O7
  • Average mass400.506 Da
  • Monoisotopic mass400.246094 Da
  • ChemSpider ID128435354

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4aS,5S,6S,8aR)-5-Hydroxy-6-isopropyl-8a-methyl-4-methylendecahydro-1-naphthalinyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(1R,4aS,5S,6S,8aR)-5-Hydroxy-6-isopropyl-8a-methyl-4-methylenedecahydro-1-naphthalenyl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de (1R,4aS,5S,6S,8aR)-5-hydroxy-6-isopropyl-8a-méthyl-4-méthylènedécahydro-1-naphtalényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,4aS,5S,6S,8aR)-decahydro-5-hydroxy-8a-methyl-4-methylene-6-(1-methylethyl)-1-naphthalenyl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 81.78
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 81.78
Polar Surface Area: 120 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 318.0±5.0 cm3

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