ChemSpider 2D Image | (2S)-2-[(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino]-5-methoxy-5-oxopentanoic acid | C20H25N7O6

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

  • Molecular FormulaC20H25N7O6
  • Average mass459.456 Da
  • Monoisotopic mass459.186646 Da
  • ChemSpider ID18855135

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-[(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino]-5-methoxy-5-oxopentanoic acid [ACD/IUPAC Name]
(2S)-2-[(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino]-5-methoxy-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl)méthyl]amino}benzoyl)amino]-5-méthoxy-5-oxopentanoïque [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, 5-methyl ester [ACD/Index Name]
134-35-0 [RN]
Methyl tetrahydrofolate
methyltetrahydrofolate
methyl-tetrahydrofolate

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 285.7±7.0 cm3

Click to predict properties on the Chemicalize site


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