ChemSpider 2D Image | {(E)-[(5S)-3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]amino}acetic acid (non-preferred name) | C12H18N2O7

{(E)-[(5S)-3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]amino}acetic acid (non-preferred name)

  • Molecular FormulaC12H18N2O7
  • Average mass302.280 Da
  • Monoisotopic mass302.111389 Da
  • ChemSpider ID78437982

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(E)-[(5S)-3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-yliden]amino}essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
{(E)-[(5S)-3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]amino}acetic acid (non-preferred name) [ACD/IUPAC Name]
Acide {(E)-[(5S)-3-[(carboxyméthyl)amino]-5-hydroxy-5-(hydroxyméthyl)-2-méthoxy-2-cyclohexén-1-ylidène]amino}acétique (non-preferred name) [French] [ACD/IUPAC Name]
Mycosporine-2-glycine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 586.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 68.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 201.4±7.0 cm3

Click to predict properties on the Chemicalize site


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