ChemSpider 2D Image | Hyenanchin | C15H18O7

Hyenanchin

  • Molecular FormulaC15H18O7
  • Average mass310.299 Da
  • Monoisotopic mass310.105255 Da
  • ChemSpider ID30791182

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,3S,5R,6R,7R,8S,9S)-2,8,12-Trihydroxy-12-isopropenyl-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxiran]-11-one [ACD/IUPAC Name]
3484-46-6 [RN]
Hyenanchin
Mellitoxin

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

6Y532H6TUO [DBID]
UNII:6Y532H6TUO [DBID]
UNII-6Y532H6TUO [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 231.4±25.0 °C
Index of Refraction: 1.668
Molar Refractivity: 70.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.36
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.35
Polar Surface Area: 112 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 189.7±5.0 cm3

Click to predict properties on the Chemicalize site


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