ChemSpider 2D Image | (1S)-1-C-1H-Benzotriazol-1-yl-5-deoxy-4-O-formyl-1,2-O-isopropylidene-3-O-methyl-L-arabinitol | C16H21N3O5

(1S)-1-C-1H-Benzotriazol-1-yl-5-deoxy-4-O-formyl-1,2-O-isopropylidene-3-O-methyl-L-arabinitol

  • Molecular FormulaC16H21N3O5
  • Average mass335.355 Da
  • Monoisotopic mass335.148132 Da
  • ChemSpider ID30658612

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1-C-1H-Benzotriazol-1-yl-5-deoxy-4-O-formyl-1,2-O-isopropylidene-3-O-methyl-L-arabinitol [ACD/IUPAC Name]
(1S)-1-C-1H-Benzotriazol-1-yl-5-desoxy-4-O-formyl-1,2-O-isopropyliden-3-O-methyl-L-arabinitol [German] [ACD/IUPAC Name]
(1S)-1-C-1H-Benzotriazol-1-yl-5-désoxy-4-O-formyl-1,2-O-isopropylidène-3-O-méthyl-L-arabinitol [French] [ACD/IUPAC Name]
L-Arabinitol, 1-C-1H-1,2,3-benzotriazol-1-yl-5-deoxy-3-O-methyl-1,2-O-(1-methylethylidene)-, 4-formate, (1S)- [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: 489.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 250.0±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 84.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.35
ACD/KOC (pH 5.5): 419.20
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.35
ACD/KOC (pH 7.4): 419.20
Polar Surface Area: 85 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 250.0±7.0 cm3

Click to predict properties on the Chemicalize site


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