ChemSpider 2D Image | (7R)-3,7-Dihydroxy-2-[(1E)-1-penten-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione | C12H13NO5

(7R)-3,7-Dihydroxy-2-[(1E)-1-penten-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione

  • Molecular FormulaC12H13NO5
  • Average mass251.235 Da
  • Monoisotopic mass251.079376 Da
  • ChemSpider ID40256754

  • 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

(7R)-3,7-Dihydroxy-2-[(1E)-1-penten-1-yl]-6,7-dihydropyrano[2,3-c]pyrrol-4,5-dion [German] [ACD/IUPAC Name]
(7R)-3,7-Dihydroxy-2-[(1E)-1-penten-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione [ACD/IUPAC Name]
(7R)-3,7-Dihydroxy-2-[(1E)-1-pentén-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrrole-4,5-dione, 6,7-dihydro-3,7-dihydroxy-2-[(1E)-1-penten-1-yl]-, (7R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 61.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.07
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.43
Polar Surface Area: 96 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 172.4±5.0 cm3

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