ChemSpider 2D Image | (6S)-5,6,7,8-tetrahydropteroic acid | C14H16N6O3

(6S)-5,6,7,8-tetrahydropteroic acid

  • Molecular FormulaC14H16N6O3
  • Average mass316.315 Da
  • Monoisotopic mass316.128387 Da
  • ChemSpider ID34999814

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-5,6,7,8-tetrahydropteroic acid
4-({[(6S)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoesäure [German] [ACD/IUPAC Name]
4-({[(6S)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(6S)-2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]- [ACD/Index Name]
4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
  • Miscellaneous

    • Chemical Class:

      A pteroic acid derivative arising from formal hydrogenation of the 5,6- and 7,8-double bonds of pteroic acid. ChEBI CHEBI:85811

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: 1.803
Molar Refractivity: 79.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 184.6±7.0 cm3

Click to predict properties on the Chemicalize site


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