Found 44 results

Search term: MF = 'C_{14}H_{16}N_{4}O_{7}'
ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol | C14H16N4O7

(1S)-1,5-Anhydro-1-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol

  • Molecular FormulaC14H16N4O7
  • Average mass352.299 Da
  • Monoisotopic mass352.101898 Da
  • ChemSpider ID34238263

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3-(4-nitrophényl)-1H-1,2,4-triazol-5-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-, (1S)- [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: 725.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.91
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.31
Polar Surface Area: 178 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 89.9±3.0 dyne/cm
Molar Volume: 213.1±3.0 cm3

Click to predict properties on the Chemicalize site


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