ChemSpider 2D Image | (2S)-2-{[(4S)-4-{[(4S)-4-{[4-({[(6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}-4-carboxylatobutanoyl]amino}-4-carboxylatobutanoyl]amino}pentanedioate | C30H35N9O12

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

  • Molecular FormulaC30H35N9O12
  • Average mass713.654 Da
  • Monoisotopic mass713.242737 Da
  • ChemSpider ID26331074

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-{[(4S)-4-{[(4S)-4-{[4-({[(6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}-4-carboxylatobutanoyl]amino}-4-carboxylatobutanoyl]amino}pentandioat [German] [ACD/IUPAC Name]
(2S)-2-{[(4S)-4-{[(4S)-4-{[4-({[(6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}-4-carboxylatobutanoyl]amino}-4-carboxylatobutanoyl]amino}pentanedioate [ACD/IUPAC Name]
(2S)-2-{[(4S)-4-{[(4S)-4-{[4-({[(6S)-2-Amino-5-méthyl-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]amino}-4-carboxylatobutanoyl]amino}-4-carboxylatobutanoyl]amino}pentanedioate [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-, ion(4-) [ACD/Index Name]
N5-methyl--H4PteGlu3
N5-methyltetrahydropteroyl tri-L-glutamate
5-methyltetrahydropteroyl tri-L-glutamate
5-methyltetrahydropteroyltri-L-glutamate
5-methyltetrahydropteroyltri-L-glutamate tetraanion
5-methyltetrahydropteroyltri-L-glutamate(4-)
  • Miscellaneous

    • Chemical Class:

      A peptide anion arising from deprotonation of all four carboxy groups of 5-methyltetrahydropteroyltri-L-glutamic acid; major species at pH 7.3. ChEBI CHEBI:58207

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 343 Å2
Polarizability:
Surface Tension:
Molar Volume:

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