ChemSpider 2D Image | [(2R,3S,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol | C13H25N5O2

[(2R,3S,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol

  • Molecular FormulaC13H25N5O2
  • Average mass283.370 Da
  • Monoisotopic mass283.200836 Da
  • ChemSpider ID29402161

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-4-Amino-1,5-anhydro-2,3,4-trideoxy-1-(2-{4-[(dimethylamino)methyl]-1H-1,2,3-triazol-1-yl}ethyl)-L-threo-hexitol [ACD/IUPAC Name]
(1S)-4-Amino-1,5-anhydro-2,3,4-tridesoxy-1-(2-{4-[(dimethylamino)methyl]-1H-1,2,3-triazol-1-yl}ethyl)-L-threo-hexitol [German] [ACD/IUPAC Name]
(1S)-4-Amino-1,5-anhydro-2,3,4-tridésoxy-1-(2-{4-[(diméthylamino)méthyl]-1H-1,2,3-triazol-1-yl}éthyl)-L-thréo-hexitol [French] [ACD/IUPAC Name]
[(2R,3S,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol
D-xylo-Octitol, 3-amino-2,6-anhydro-3,4,5,7,8-pentadeoxy-8-[4-[(dimethylamino)methyl]-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 444.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 222.9±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 75.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -4.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 214.7±7.0 cm3

Click to predict properties on the Chemicalize site


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