ChemSpider 2D Image | N-[4-({[(6S)-2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid | C30H37N9O13

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

  • Molecular FormulaC30H37N9O13
  • Average mass731.667 Da
  • Monoisotopic mass731.251099 Da
  • ChemSpider ID4883456

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID
Acide N-[4-({[(6S)-2-amino-5-formyl-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-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl- [ACD/Index Name]
N-[4-({[(6S)-2-Amino-5-formyl-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-formyl-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]
5-CHO-H4PteGlu3
TGF
TRIGLU-5-FORMYL-TETRAHYDROFOLATE

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: 1.721
Molar Refractivity: 171.5±0.5 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -5.39
ACD/LogD (pH 5.5): -9.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 81.3±7.0 dyne/cm
Molar Volume: 433.5±7.0 cm3

Click to predict properties on the Chemicalize site


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