ChemSpider 2D Image | 3,3-Dihydroxy-2-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]acrylic acid | C8H11NO8

3,3-Dihydroxy-2-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]acrylic acid

  • Molecular FormulaC8H11NO8
  • Average mass249.175 Da
  • Monoisotopic mass249.048462 Da
  • ChemSpider ID95564759

More details:

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

2-Propenoic acid, 2-[[(1Z)-1-(dihydroxymethyl)-4,4-dihydroxy-3-buten-1-ylidene]amino]-3,3-dihydroxy- [ACD/Index Name]
3,3-Dihydroxy-2-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-yliden)amino]acrylsäure [German] [ACD/IUPAC Name]
3,3-Dihydroxy-2-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]acrylic acid [ACD/IUPAC Name]
Acide 3,3-dihydroxy-2-[(Z)-(1,1,5,5-tétrahydroxy-4-pentén-2-ylidène)amino]acrylique [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: 544.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 282.9±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 49.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -4.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 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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