ChemSpider 2D Image | 4-{[3-(3-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoyl]amino}-1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-D-erythro-pentitol | C13H19N5O6

4-{[3-(3-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoyl]amino}-1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-D-erythro-pentitol

  • Molecular FormulaC13H19N5O6
  • Average mass341.320 Da
  • Monoisotopic mass341.133545 Da
  • ChemSpider ID35083817

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[3-(3-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoyl]amino}-1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-D-erythro-pentitol [ACD/IUPAC Name]
4-{[3-(3-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoyl]amino}-1,5-anhydro-3-O-(carboxymethyl)-2,4-didesoxy-D-erythro-pentitol [German] [ACD/IUPAC Name]
4-{[3-(3-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoyl]amino}-1,5-anhydro-3-O-(carboxyméthyl)-2,4-didésoxy-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 4-[[3-(3-amino-4,5-dihydro-5-oxo-1,2,4-triazin-6-yl)-1-oxopropyl]amino]-1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 77.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.24
ACD/LogD (pH 5.5): -4.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 73.8±7.0 dyne/cm
Molar Volume: 202.6±7.0 cm3

Click to predict properties on the Chemicalize site


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