ChemSpider 2D Image | (1S)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-(1-phenyl-1H-1,2,3-triazol-4-yl)-D-erythro-hex-2-enitol | C18H19N3O5

(1S)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-(1-phenyl-1H-1,2,3-triazol-4-yl)-D-erythro-hex-2-enitol

  • Molecular FormulaC18H19N3O5
  • Average mass357.361 Da
  • Monoisotopic mass357.132477 Da
  • ChemSpider ID30657035

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-(1-phenyl-1H-1,2,3-triazol-4-yl)-D-erythro-hex-2-enitol [ACD/IUPAC Name]
(1S)-4,6-Di-O-acetyl-1,5-anhydro-2,3-didesoxy-1-(1-phenyl-1H-1,2,3-triazol-4-yl)-D-erythro-hex-2-enitol [German] [ACD/IUPAC Name]
(1S)-4,6-Di-O-acétyl-1,5-anhydro-2,3-didésoxy-1-(1-phényl-1H-1,2,3-triazol-4-yl)-D-érythro-hex-2-énitol [French] [ACD/IUPAC Name]
D-erythro-Hex-2-enitol, 1,5-anhydro-2,3-dideoxy-1-C-(1-phenyl-1H-1,2,3-triazol-4-yl)-, 4,6-diacetate, (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: 518.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.57
ACD/KOC (pH 5.5): 354.20
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.57
ACD/KOC (pH 7.4): 354.20
Polar Surface Area: 93 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 269.3±7.0 cm3

Click to predict properties on the Chemicalize site


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