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Search term: HWSOHMCMQHZNFN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1R,2R,4S)-2-Hydroxy-4-(2-hydroxy-2-propanyl)-1-methylcyclohexyl beta-L-glucopyranoside | C16H30O8

(1R,2R,4S)-2-Hydroxy-4-(2-hydroxy-2-propanyl)-1-methylcyclohexyl β-L-glucopyranoside

  • Molecular FormulaC16H30O8
  • Average mass350.405 Da
  • Monoisotopic mass350.194061 Da
  • ChemSpider ID26338635
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(1R,2R,4S)-2-Hydroxy-4-(2-hydroxy-2-propanyl)-1-methylcyclohexyl β-L-glucopyranoside [ACD/IUPAC Name]
(1R,2R,4S)-2-Hydroxy-4-(2-hydroxy-2-propanyl)-1-methylcyclohexyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de (1R,2R,4S)-2-hydroxy-4-(2-hydroxy-2-propanyl)-1-méthylcyclohexyle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (1R,2R,4S)-2-hydroxy-4-(1-hydroxy-1-methylethyl)-1-methylcyclohexyl [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: 556.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 290.4±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.50
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.50
Polar Surface Area: 140 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 256.7±5.0 cm3

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