ChemSpider 2D Image | 2-Oxo-4-phenyl-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-D-glucopyranoside | C29H28O12

2-Oxo-4-phenyl-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-D-glucopyranoside

  • Molecular FormulaC29H28O12
  • Average mass568.525 Da
  • Monoisotopic mass568.158081 Da
  • ChemSpider ID17461066

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-acétyl-D-glucopyranoside de 2-oxo-4-phényl-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 4-phenyl-7-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]- [ACD/Index Name]
2-Oxo-4-phenyl-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-D-glucopyranoside [ACD/IUPAC Name]
2-Oxo-4-phenyl-2H-chromen-7-yl-2,3,4,6-tetra-O-acetyl-D-glucopyranosid [German] [ACD/IUPAC Name]
318481-21-9 [RN]
4-Phenyl-7-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]-2H-1-benzopyran-2-one
(2R,3R,4S,5R)-2-(acetoxymethyl)-6-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-(2-oxo-4-phenylchromen-7-yl)oxyoxan-2-yl]methyl acetate
[(3R,4S,5R,6R)-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-2-(2-OXO-4-PHENYLCHROMEN-7-YL)OXYOXAN-3-YL] ACETATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 669.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.3±3.0 kJ/mol
    Flash Point: 281.4±31.5 °C
    Index of Refraction: 1.590
    Molar Refractivity: 138.4±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 4.77
    ACD/LogD (pH 5.5): 3.97
    ACD/BCF (pH 5.5): 615.67
    ACD/KOC (pH 5.5): 3453.18
    ACD/LogD (pH 7.4): 3.97
    ACD/BCF (pH 7.4): 615.67
    ACD/KOC (pH 7.4): 3453.18
    Polar Surface Area: 150 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 59.1±5.0 dyne/cm
    Molar Volume: 410.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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