ChemSpider 2D Image | 2-({(2Z)-2-[(2,2-Dihydroxyvinyl)imino]-3,3-dihydroxypropyl}amino)-4,4-dihydroxy-3-butenoic acid | C9H14N2O8

2-({(2Z)-2-[(2,2-Dihydroxyvinyl)imino]-3,3-dihydroxypropyl}amino)-4,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC9H14N2O8
  • Average mass278.216 Da
  • Monoisotopic mass278.075012 Da
  • ChemSpider ID95685679

More details:

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

2-({(2Z)-2-[(2,2-Dihydroxyvinyl)imino]-3,3-dihydroxypropyl}amino)-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
2-({(2Z)-2-[(2,2-Dihydroxyvinyl)imino]-3,3-dihydroxypropyl}amino)-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 2-[[(2Z)-2-[(2,2-dihydroxyethenyl)imino]-3,3-dihydroxypropyl]amino]-4,4-dihydroxy- [ACD/Index Name]
Acide 2-({(2Z)-2-[(2,2-dihydroxyvinyl)imino]-3,3-dihydroxypropyl}amino)-4,4-dihydroxy-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 660.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 56.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 75.2±7.0 dyne/cm
Molar Volume: 165.3±7.0 cm3

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