ChemSpider 2D Image | 1-(4-Amino-6-oxo-1,6-dihydro-1,2,3-triazin-5-yl)-1,4-anhydropentitol | C8H12N4O5

1-(4-Amino-6-oxo-1,6-dihydro-1,2,3-triazin-5-yl)-1,4-anhydropentitol

  • Molecular FormulaC8H12N4O5
  • Average mass244.205 Da
  • Monoisotopic mass244.080765 Da
  • ChemSpider ID26469681

More details:

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

1-(4-Amino-6-oxo-1,6-dihydro-1,2,3-triazin-5-yl)-1,4-anhydropentitol [German] [ACD/IUPAC Name]
1-(4-Amino-6-oxo-1,6-dihydro-1,2,3-triazin-5-yl)-1,4-anhydropentitol [ACD/IUPAC Name]
1-(4-Amino-6-oxo-1,6-dihydro-1,2,3-triazin-5-yl)-1,4-anhydropentitol [French] [ACD/IUPAC Name]
Pentitol, 1-C-(6-amino-1,4-dihydro-4-oxo-1,2,3-triazin-5-yl)-1,4-anhydro- [ACD/Index Name]
12679-86-6 [RN]
6-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-triazin-4-one
6-azanyl-5-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-1,2,3-triazin-4-one

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

Density: 2.2±0.1 g/cm3
Boiling Point: 519.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 268.1±32.9 °C
Index of Refraction: 1.865
Molar Refractivity: 50.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.43
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 150 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 113.1±7.0 dyne/cm
Molar Volume: 111.0±7.0 cm3

Click to predict properties on the Chemicalize site


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