ChemSpider 2D Image | 2-[(3-Carboxy-1,1-dihydroxy-1-propen-2-yl)amino]-4,4-dihydroxy-3-butenoic acid | C8H11NO8

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

  • Molecular FormulaC8H11NO8
  • Average mass249.175 Da
  • Monoisotopic mass249.048462 Da
  • ChemSpider ID95722776

More details:

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

2-[(3-Carboxy-1,1-dihydroxy-1-propen-2-yl)amino]-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
2-[(3-Carboxy-1,1-dihydroxy-1-propen-2-yl)amino]-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 2-[[1-(carboxymethyl)-2,2-dihydroxyethenyl]amino]-4,4-dihydroxy- [ACD/Index Name]
Acide 2-[(3-carboxy-1,1-dihydroxy-1-propén-2-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: 808.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.8±6.0 kJ/mol
Flash Point: 442.5±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 51.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.36
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 120.2±3.0 dyne/cm
Molar Volume: 135.7±3.0 cm3

Click to predict properties on the Chemicalize site


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