ChemSpider 2D Image | 1-[5-S-(2-Acetoxyethyl)-2,3-di-O-acetyl-5-thiopentofuranosyl]-1H-1,2,4-triazole-3-carboxamide | C16H22N4O8S

1-[5-S-(2-Acetoxyethyl)-2,3-di-O-acetyl-5-thiopentofuranosyl]-1H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC16H22N4O8S
  • Average mass430.433 Da
  • Monoisotopic mass430.115845 Da
  • ChemSpider ID24620775

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[5-S-(2-Acetoxyethyl)-2,3-di-O-acetyl-5-thiopentofuranosyl]-1H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
1-[5-S-(2-Acetoxyethyl)-2,3-di-O-acetyl-5-thiopentofuranosyl]-1H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
1-[5-S-(2-Acétoxyéthyl)-2,3-di-O-acétyl-5-thiopentofuranosyl]-1H-1,2,4-triazole-3-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxamide, 1-[2,3-di-O-acetyl-5-S-[2-(acetyloxy)ethyl]-5-thiopentofuranosyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 620.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.13
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.17
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.17
Polar Surface Area: 187 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 277.0±7.0 cm3

Click to predict properties on the Chemicalize site


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