ChemSpider 2D Image | harpagide | C15H24O10

harpagide

  • Molecular FormulaC15H24O10
  • Average mass364.345 Da
  • Monoisotopic mass364.136932 Da
  • ChemSpider ID34998019

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2S,3S,4R,5R,6S)-6-{[(4aR,7S)-4a,7-Dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}-2-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-6-{[(4aR,7S)-4a,7-Dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}-2-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-6-{[(4aR,7S)-4a,7-Dihydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}-2-(hydroxyméthyl)tétrahydro-2H-pyrane-2,3,4,5-tétrol (non-preferred name) [French] [ACD/IUPAC Name]
6926-08-5 [RN]
harpagide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 628.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 333.9±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 81.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.63
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.62
Polar Surface Area: 169 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 98.1±5.0 dyne/cm
Molar Volume: 218.2±5.0 cm3

Click to predict properties on the Chemicalize site


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