ChemSpider 2D Image | N-[(5-{[3-(6-Amino-2-imino-4-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)propyl]amino}-2-thienyl)carbonyl]-D-glutamic acid | C17H22N6O6S

N-[(5-{[3-(6-Amino-2-imino-4-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)propyl]amino}-2-thienyl)carbonyl]-D-glutamic acid

  • Molecular FormulaC17H22N6O6S
  • Average mass438.458 Da
  • Monoisotopic mass438.132141 Da
  • ChemSpider ID68024432

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-[(5-{[3-(6-amino-2-imino-4-oxo-1,2,3,4-tétrahydro-5-pyrimidinyl)propyl]amino}-2-thiényl)carbonyl]-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[[5-[[3-(6-amino-1,2,3,4-tetrahydro-2-imino-4-oxo-5-pyrimidinyl)propyl]amino]-2-thienyl]carbonyl]- [ACD/Index Name]
N-[(5-{[3-(6-Amino-2-imino-4-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)propyl]amino}-2-thienyl)carbonyl]-D-glutamic acid [ACD/IUPAC Name]
N-[(5-{[3-(6-Amino-2-imino-4-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)propyl]amino}-2-thienyl)carbonyl]-D-glutaminsäure [German] [ACD/IUPAC Name]
Doptcga

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 80.6±7.0 dyne/cm
Molar Volume: 259.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement