ChemSpider 2D Image | Methyl 2-({N-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-seryl}amino)benzoate | C19H18N6O7

Methyl 2-({N-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-seryl}amino)benzoate

  • Molecular FormulaC19H18N6O7
  • Average mass442.382 Da
  • Monoisotopic mass442.123688 Da
  • ChemSpider ID35516823

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({N-[(1-Méthyl-2,4-dioxo-1,2,3,4-tétrahydro-6-ptéridinyl)carbonyl]-L-séryl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2S)-3-hydroxy-1-oxo-2-[[(1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-6-pteridinyl)carbonyl]amino]propyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({N-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-seryl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({N-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-seryl}amino)benzoat [German] [ACD/IUPAC Name]
Terrelumamide B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.07
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.04
Polar Surface Area: 180 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 292.9±3.0 cm3

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