ChemSpider 2D Image | 7-(Acetyloxy)-5-methyl-2-(2-oxopropyl)-8-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4H-1-benzopyran-4-one | C29H32O14

7-(Acetyloxy)-5-methyl-2-(2-oxopropyl)-8-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4H-1-benzopyran-4-one

  • Molecular FormulaC29H32O14
  • Average mass604.556 Da
  • Monoisotopic mass604.179199 Da
  • ChemSpider ID103884630

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1-[7-Acetoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-2,3,4,6-tetra-O-acetyl-1,5-anhydro-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1-[7-Acetoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-2,3,4,6-tetra-O-acetyl-1,5-anhydro-D-glucitol [ACD/IUPAC Name]
(1S)-1-[7-Acétoxy-5-méthyl-4-oxo-2-(2-oxopropyl)-4H-chromén-8-yl]-2,3,4,6-tétra-O-acétyl-1,5-anhydro-D-glucitol [French] [ACD/IUPAC Name]
30861-28-0 [RN]
7-(Acetyloxy)-5-methyl-2-(2-oxopropyl)-8-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4H-1-benzopyran-4-one
D-Glucitol, 1-C-[7-(acetyloxy)-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-1,5-anhydro-, tetraacetate, (1S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 665.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 277.3±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.90
ACD/KOC (pH 5.5): 460.59
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.90
ACD/KOC (pH 7.4): 460.59
Polar Surface Area: 184 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 441.1±5.0 cm3

Click to predict properties on the Chemicalize site


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