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

3-[(Z)-(3-Carboxy-1,1-dihydroxy-2-propanylidene)amino]-4,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC8H11NO8
  • Average mass249.175 Da
  • Monoisotopic mass249.048462 Da
  • ChemSpider ID95684592

More details:

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

3-[(Z)-(3-Carboxy-1,1-dihydroxy-2-propanyliden)amino]-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
3-[(Z)-(3-Carboxy-1,1-dihydroxy-2-propanylidene)amino]-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
3-Butenoic acid, 3-[[(1Z)-1-(carboxymethyl)-2,2-dihydroxyethylidene]amino]-4,4-dihydroxy- [ACD/Index Name]
Acide 3-[(Z)-(3-carboxy-1,1-dihydroxy-2-propanylidène)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: 570.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 299.0±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 49.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -4.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 77.3±7.0 dyne/cm
Molar Volume: 144.4±7.0 cm3

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