ChemSpider 2D Image | N-[4-({[(6S)-2-Imino-5-(~13~C)methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid | C1913CH25N7O6

N-[4-({[(6S)-2-Imino-5-(13C)methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid

  • Molecular FormulaC1913CH25N7O6
  • Average mass460.448 Da
  • Monoisotopic mass460.189972 Da
  • ChemSpider ID68026243

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acide N-[4-({[(6S)-2-imino-5-(13C)méthyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-ptéridinyl]méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(6S)-1,2,3,4,5,6,7,8-octahydro-2-imino-5-(methyl-13C)-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6S)-2-Imino-5-(13C)methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-2-Imino-5-(13C)methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]methyl}amino)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
1356019-94-7 [RN]
Levomefolic Acid-13C,d3

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.733
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 73.9±7.0 dyne/cm
Molar Volume: 282.6±7.0 cm3

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