ChemSpider 2D Image | (4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-(3-hydroxybenzoyl)-beta-D-glucopyranoside | C23H26O11

(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-(3-hydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC23H26O11
  • Average mass478.446 Da
  • Monoisotopic mass478.147522 Da
  • ChemSpider ID90615912

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-(3-hydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl-2-O-(3-hydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-[[2-O-(3-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]-, (4aS,5R,6S)- [ACD/Index Name]
2-O-(3-Hydroxybenzoyl)-β-D-glucopyranoside de (4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tétrahydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 768.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 265.3±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.34
ACD/KOC (pH 5.5): 115.41
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.23
ACD/KOC (pH 7.4): 113.03
Polar Surface Area: 161 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 317.6±5.0 cm3

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