ChemSpider 2D Image | (2xi)-3-O-Benzyl-2-O-(chloroacetyl)-6-deoxy-2-C-[(1E)-1-propen-1-yl]-alpha-L-arabino-hexopyranose | C18H23ClO6

(2ξ)-3-O-Benzyl-2-O-(chloroacetyl)-6-deoxy-2-C-[(1E)-1-propen-1-yl]-α-L-arabino-hexopyranose

  • Molecular FormulaC18H23ClO6
  • Average mass370.825 Da
  • Monoisotopic mass370.118317 Da
  • ChemSpider ID57487323

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2ξ)-3-O-Benzyl-2-O-(2-chloroacétyl)-6-désoxy-2-C-[(1E)-1-propén-1-yl]-α-L-arabino-hexopyranose [French] [ACD/IUPAC Name]
(2ξ)-3-O-Benzyl-2-O-(chloracetyl)-6-desoxy-2-C-[(1E)-1-propen-1-yl]-α-L-arabino-hexopyranose [German] [ACD/IUPAC Name]
(2ξ)-3-O-Benzyl-2-O-(chloroacetyl)-6-deoxy-2-C-[(1E)-1-propen-1-yl]-α-L-arabino-hexopyranose [ACD/IUPAC Name]
α-L-arabino-Hexopyranose, 6-deoxy-3-O-(phenylmethyl)-2-C-[(1E)-1-propen-1-yl]-, 2-(2-chloroacetate), (2ξ)- [ACD/Index Name]
A-L-MANNOPYRANOSIDE, 2-PROPEN-1-YL6-DEOXY-3-O-(PHENYLMETHYL)-, 2-(2-CHLOROACETATE)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.04
ACD/KOC (pH 5.5): 629.05
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 57.03
ACD/KOC (pH 7.4): 629.00
Polar Surface Area: 85 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 285.7±5.0 cm3

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