ChemSpider 2D Image | N-[(5-{[3-(2-Amino-6-imino-4-oxo-1,4,5,6-tetrahydro-5-pyrimidinyl)propyl]amino}-1,3-thiazol-2-yl)carbonyl]glutamic acid | C16H21N7O6S

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

  • Molecular FormulaC16H21N7O6S
  • Average mass439.446 Da
  • Monoisotopic mass439.127411 Da
  • ChemSpider ID95547835

More details:

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

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

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.770
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -5.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 87.4±7.0 dyne/cm
Molar Volume: 248.3±7.0 cm3

Click to predict properties on the Chemicalize site


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