ChemSpider 2D Image | (1S,2R,3S,5R,6R,7R,8S,9R,12S)-2,8-Dihydroxy-12-(2-hydroxy-2-propanyl)-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.0~2,7~.0~3,5~]dodecane-6,2'-oxiran]-11-one | C15H20O7

(1S,2R,3S,5R,6R,7R,8S,9R,12S)-2,8-Dihydroxy-12-(2-hydroxy-2-propanyl)-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxiran]-11-one

  • Molecular FormulaC15H20O7
  • Average mass312.315 Da
  • Monoisotopic mass312.120911 Da
  • ChemSpider ID30783272

  • 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,9R,12S)-2,8-Dihydroxy-12-(2-hydroxy-2-propanyl)-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxiran]-11-one [ACD/IUPAC Name]
(1S,2R,3S,5R,6R,7R,8S,9R,12S)-2,8-dihydroxy-12-(2-hydroxypropan-2-yl)-7-methylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
[19417-00-6] [RN]
19417-00-6 [RN]
Isohyenanchin
MFCD17214849

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

Density: 1.6±0.1 g/cm3
Boiling Point: 594.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 227.4±23.6 °C
Index of Refraction: 1.649
Molar Refractivity: 71.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.75
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.75
Polar Surface Area: 112 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 195.2±5.0 cm3

Click to predict properties on the Chemicalize site


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