ChemSpider 2D Image | (1S,2S,5R,6R)-2-{[(2S)-2-Amino-1-hydroxypropylidene]amino}bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | C11H16N2O5

(1S,2S,5R,6R)-2-{[(2S)-2-Amino-1-hydroxypropylidene]amino}bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

  • Molecular FormulaC11H16N2O5
  • Average mass256.255 Da
  • Monoisotopic mass256.105927 Da
  • ChemSpider ID57642939

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,5R,6R)-2-{[(2S)-2-Amino-1-hydroxypropyliden]amino}bicyclo[3.1.0]hexan-2,6-dicarbonsäure [German] [ACD/IUPAC Name]
(1S,2S,5R,6R)-2-{[(2S)-2-Amino-1-hydroxypropylidene]amino}bicyclo[3.1.0]hexane-2,6-dicarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S,5R,6R)-2-{[(2S)-2-amino-1-hydroxypropylidène]amino}bicyclo[3.1.0]hexane-2,6-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-hydroxypropylidene]amino]-, (1S,2S,5R,6R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 500.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 256.5±32.9 °C
Index of Refraction: 1.727
Molar Refractivity: 57.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 78.6±7.0 dyne/cm
Molar Volume: 145.1±7.0 cm3

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