ChemSpider 2D Image | tetrahydropteroyltri-L-glutamic acid | C29H37N9O12

tetrahydropteroyltri-L-glutamic acid

  • Molecular FormulaC29H37N9O12
  • Average mass703.657 Da
  • Monoisotopic mass703.256165 Da
  • ChemSpider ID17625690

  • defined stereocentres - 4 of 4 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]-L-γ-glutamyl-L-γ-glutamyl-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(6S)-2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl- [ACD/Index Name]
N-[4-({[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-glutaminsäure [German] [ACD/IUPAC Name]
tetrahydropteroyltri-L-glutamic acid
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-γ-glutamyl-L-γ-glutamyl-L-glutamic acid
tetrahydropteroyltri-L-glutamate

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

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: 1.729
Molar Refractivity: 165.1±0.5 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -5.82
ACD/LogD (pH 5.5): -9.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 340 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 81.1±7.0 dyne/cm
Molar Volume: 414.2±7.0 cm3

Click to predict properties on the Chemicalize site


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