ChemSpider 2D Image | 5-methyltetrahydropteroyltri-L-glutamic acid | C30H39N9O12

5-methyltetrahydropteroyltri-L-glutamic acid

  • Molecular FormulaC30H39N9O12
  • Average mass717.684 Da
  • Monoisotopic mass717.271790 Da
  • ChemSpider ID17625689
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5-methyltetrahydropteroyltri-L-glutamic acid
Acide N-[4-({[(6S)-2-amino-5-méthyl-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-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl- [ACD/Index Name]
N-[4-({[(6S)-2-Amino-5-methyl-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-5-methyl-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]
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-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-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
5-methyltetrahydrofolyl polyglutamate
5-methyltetrahydrofolyl polyglutamate macromolecule
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  • Miscellaneous
    • Chemical Class:

      A macromolecule consisting of 5-methyltetrahydrofolic acid with an arbitrary number of glutamate residues attached as a polypeptide to the single existent one. ChEBI CHEBI:17614, CHEBI:63907

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 170.5±0.5 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.81
ACD/LogD (pH 5.5): -9.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 331 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 76.6±7.0 dyne/cm
Molar Volume: 435.5±7.0 cm3

Click to predict properties on the Chemicalize site






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