ChemSpider 2D Image | 2,6-dideoxy-2,6-imino-d-mannonic acid methyl ester | C7H13NO5

2,6-dideoxy-2,6-imino-d-mannonic acid methyl ester

  • Molecular FormulaC7H13NO5
  • Average mass191.182 Da
  • Monoisotopic mass191.079376 Da
  • ChemSpider ID25937522
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2S,3R,4R,5R)-3,4,5-Trihydroxy-2-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
2,6-dideoxy-2,6-imino-d-mannonic acid methyl ester
2-Piperidinecarboxylic acid, 3,4,5-trihydroxy-, methyl ester, (2S,3R,4R,5R)- [ACD/Index Name]
Methyl (2S,3R,4R,5R)-3,4,5-trihydroxy-2-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-(2S,3R,4R,5R)-3,4,5-trihydroxy-2-piperidincarboxylat [German] [ACD/IUPAC Name]
226884-09-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 338.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.4±6.0 kJ/mol
Flash Point: 158.6±27.9 °C
Index of Refraction: 1.556
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.72
Polar Surface Area: 99 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 131.1±3.0 cm3

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