ChemSpider 2D Image | N-[4-({[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]glutamic acid | C19H23N7O6

N-[4-({[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]glutamic acid

  • Molecular FormulaC19H23N7O6
  • Average mass445.429 Da
  • Monoisotopic mass445.170990 Da
  • ChemSpider ID18714427

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Acide N-[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[[(6S)-2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]glutaminsäure [German] [ACD/IUPAC Name]
(6S)-tetrahydrofolate
(6S)-Tetrahydrofolic acid
2-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
2-{[4-({[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
5,6,7,8-Tetrahydrofolate
5,6,7,8-tetrahydrofolic acid
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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: 1.763
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -5.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 80.7±7.0 dyne/cm
Molar Volume: 261.4±7.0 cm3

Click to predict properties on the Chemicalize site


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