ChemSpider 2D Image | (+)-deoxyradicinin | C12H12O4

(+)-deoxyradicinin

  • Molecular FormulaC12H12O4
  • Average mass220.221 Da
  • Monoisotopic mass220.073563 Da
  • ChemSpider ID52085437

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-deoxyradicinin
(2R)-2-Methyl-7-[(1E)-1-propen-1-yl]-2,3-dihydro-4H,5H-pyrano[4,3-b]pyran-4,5-dion [German] [ACD/IUPAC Name]
(2R)-2-Methyl-7-[(1E)-1-propen-1-yl]-2,3-dihydro-4H,5H-pyrano[4,3-b]pyran-4,5-dione [ACD/IUPAC Name]
(2R)-2-Méthyl-7-[(1E)-1-propén-1-yl]-2,3-dihydro-4H,5H-pyrano[4,3-b]pyrane-4,5-dione [French] [ACD/IUPAC Name]
1360457-27-7 [RN]
4H,5H-Pyrano[4,3-b]pyran-4,5-dione, 2,3-dihydro-2-methyl-7-[(1E)-1-propen-1-yl]-, (2R)- [ACD/Index Name]
DEOXYRADICININ, (+)-

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

6Y30GI62P2 [DBID]
UNII:6Y30GI62P2 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 372.9±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 167.4±27.7 °C
Index of Refraction: 1.552
Molar Refractivity: 56.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 88.22
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.67
ACD/KOC (pH 7.4): 88.22
Polar Surface Area: 53 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 176.1±5.0 cm3

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