ChemSpider 2D Image | (2Z,3R)-2-(Acetamidomethylene)-3-(hydroxymethyl)succinic acid | C8H11NO6

(2Z,3R)-2-(Acetamidomethylene)-3-(hydroxymethyl)succinic acid

  • Molecular FormulaC8H11NO6
  • Average mass217.176 Da
  • Monoisotopic mass217.058640 Da
  • ChemSpider ID75140583

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,3R)-2-(Acetamidomethylen)-3-(hydroxymethyl)bernsteinsäure [German] [ACD/IUPAC Name]
(2Z,3R)-2-(Acetamidomethylene)-3-(hydroxymethyl)succinic acid [ACD/IUPAC Name]
Acide (2Z,3R)-2-(acétamidométhylène)-3-(hydroxyméthyl)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(acetylamino)methylene]-3-(hydroxymethyl)-, (2Z,3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 147.1±3.0 cm3

Click to predict properties on the Chemicalize site


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