ChemSpider 2D Image | 3-({2-[(2,2-Dihydroxyvinyl)amino]-3,3-dihydroxy-2-propen-1-yl}amino)-4,4-dihydroxy-3-butenoic acid | C9H14N2O8

3-({2-[(2,2-Dihydroxyvinyl)amino]-3,3-dihydroxy-2-propen-1-yl}amino)-4,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC9H14N2O8
  • Average mass278.216 Da
  • Monoisotopic mass278.075012 Da
  • ChemSpider ID95710233

More details:

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

3-({2-[(2,2-Dihydroxyvinyl)amino]-3,3-dihydroxy-2-propen-1-yl}amino)-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
3-({2-[(2,2-Dihydroxyvinyl)amino]-3,3-dihydroxy-2-propen-1-yl}amino)-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 3-[[2-[(2,2-dihydroxyethenyl)amino]-3,3-dihydroxy-2-propen-1-yl]amino]-4,4-dihydroxy- [ACD/Index Name]
Acide 3-({2-[(2,2-dihydroxyvinyl)amino]-3,3-dihydroxy-2-propén-1-yl}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: 1.8±0.1 g/cm3
Boiling Point: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.723
Molar Refractivity: 61.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 120.3±3.0 dyne/cm
Molar Volume: 154.2±3.0 cm3

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