ChemSpider 2D Image | (2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-{[(1R,4aS,7S,7aR)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) | C15H24O9

(2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-{[(1R,4aS,7S,7aR)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)

  • Molecular FormulaC15H24O9
  • Average mass348.346 Da
  • Monoisotopic mass348.142029 Da
  • ChemSpider ID101935784

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-{[(1R,4aS,7S,7aR)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-{[(1R,4aS,7S,7aR)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-2-(Hydroxyméthyl)-6-{[(1R,4aS,7S,7aR)-7-hydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}tétrahydro-2H-pyrane-2,3,4,5-tétrol (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.77
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.77
Polar Surface Area: 149 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 85.1±5.0 dyne/cm
Molar Volume: 221.1±5.0 cm3

Click to predict properties on the Chemicalize site


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