ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(3E)-4-(3-methoxyphenyl)-2-oxo-3-buten-1-yl]-D-glucitol | C25H30O11

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(3E)-4-(3-methoxyphenyl)-2-oxo-3-buten-1-yl]-D-glucitol

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID58113221

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(3E)-4-(3-methoxyphenyl)-2-oxo-3-buten-1-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(3E)-4-(3-methoxyphenyl)-2-oxo-3-buten-1-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-[(3E)-4-(3-méthoxyphényl)-2-oxo-3-butén-1-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-glycero-D-gulo-Dec-1-en-3-ulose, 5,9-anhydro-1,2,4-trideoxy-1-(3-methoxyphenyl)-, 6,7,8,10-tetraacetate, (1E)- [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: 600.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 254.7±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.62
ACD/KOC (pH 5.5): 1514.26
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.62
ACD/KOC (pH 7.4): 1514.26
Polar Surface Area: 141 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 397.8±5.0 cm3

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