ChemSpider 2D Image | N-[4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]-L-glutamic acid | C27H27N7O8S

N-[4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]-L-glutamic acid

  • Molecular FormulaC27H27N7O8S
  • Average mass609.610 Da
  • Monoisotopic mass609.164185 Da
  • ChemSpider ID166542

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-[4-({[(2-amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl][(4-méthylphényl)sulfonyl]amino}méthyl)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino]methyl]benzoyl]- [ACD/Index Name]
N-[4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl][(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
(S)-2-(4-((N-((2-Amino-4-oxo-1,4-dihydropteridin-6-yl)methyl)-4-methylphenylsulfonamido)methyl)benzamido)pentanedioic acid
66801-29-4 [RN]
N(10)-Tosylisohomofolic acid
N-(4-((((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)((4-methylphenyl)sulfonyl)amino)methyl)ben zoyl)-L-glutamic acid

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: 1.720
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 386.4±7.0 cm3

Click to predict properties on the Chemicalize site


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