ChemSpider 2D Image | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | C20H25N7O6

5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID

  • Molecular FormulaC20H25N7O6
  • Average mass459.456 Da
  • Monoisotopic mass459.186646 Da
  • ChemSpider ID26330273
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID
Acide N-[4-({[(6R)-2-amino-5-méthyl-4-oxo-3,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[[(6R)-2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6R)-2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-D-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6R)-2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-D-glutaminsäure [German] [ACD/IUPAC Name]
(2R)-2-{[4-({[(6R)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
(2R)-2-{[4-({[(6R)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

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: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -4.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 73.9±7.0 dyne/cm
Molar Volume: 282.6±7.0 cm3

Click to predict properties on the Chemicalize site






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