ChemSpider 2D Image | (3R,4S,5R)-5-[(Carboxycarbonyl)amino]-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid | C9H11NO7

(3R,4S,5R)-5-[(Carboxycarbonyl)amino]-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC9H11NO7
  • Average mass245.186 Da
  • Monoisotopic mass245.053558 Da
  • ChemSpider ID23184534

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,5R)-5-[(Carboxycarbonyl)amino]-3,4-dihydroxy-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3R,4S,5R)-5-[(Carboxycarbonyl)amino]-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
(3R,4S,5R)-5-[(carboxycarbonyl)amino]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid
1-Cyclohexene-1-carboxylic acid, 5-[(carboxycarbonyl)amino]-3,4-dihydroxy-, (3R,4S,5R)- [ACD/Index Name]
Acide (3R,4S,5R)-5-[(carboxycarbonyl)amino]-3,4-dihydroxy-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
(3R,4S,5R)-3,4-Dihydroxy-5-(oxalyl-amino)-cyclohex-1-enecarboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 51.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -6.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 98.5±5.0 dyne/cm
Molar Volume: 143.0±5.0 cm3

Click to predict properties on the Chemicalize site


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