ChemSpider 2D Image | (4aS,5aS,9aS,10aS)-(9a,10a-~2~H_2_)Decahydropyrano[3,2-b]chromen-10(2H)-one | C12H16D2O3

(4aS,5aS,9aS,10aS)-(9a,10a-2H2)Decahydropyrano[3,2-b]chromen-10(2H)-one

  • Molecular FormulaC12H16D2O3
  • Average mass212.282 Da
  • Monoisotopic mass212.138153 Da
  • ChemSpider ID8735878
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(4aS,5aS,9aS,10aS)-(9a,10a-2H2)Decahydropyrano[3,2-b]chromen-10(2H)-on [German] [ACD/IUPAC Name]
(4aS,5aS,9aS,10aS)-(9a,10a-2H2)Decahydropyrano[3,2-b]chromen-10(2H)-one [ACD/IUPAC Name]
(4aS,5aS,9aS,10aS)-(9a,10a-2H2)Décahydropyrano[3,2-b]chromén-10(2H)-one [French] [ACD/IUPAC Name]
Pyrano[3,2-b][1]benzopyran-10(2H)-one, decahydro-9a,10a-d2-, (4aS,5aS,9aS,10aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 339.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 150.1±11.5 °C
Index of Refraction: 1.492
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 184.45
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.28
ACD/KOC (pH 7.4): 184.45
Polar Surface Area: 36 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

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