Found 40 results

Search term: MF = 'C_{28}H_{32}O_{13}'
ChemSpider 2D Image | (1R)-1,5-Anhydro-2,6-dideoxy-1-{2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl}-D-ribo-hexitol | C28H32O13

(1R)-1,5-Anhydro-2,6-dideoxy-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl}-D-ribo-hexitol

  • Molecular FormulaC28H32O13
  • Average mass576.546 Da
  • Monoisotopic mass576.184265 Da
  • ChemSpider ID28504054

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,6-dideoxy-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl}-D-ribo-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didesoxy-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl}-D-ribo-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didésoxy-1-{2-[4-(β-D-glucopyranosyloxy)phényl]-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-8-yl}-D-ribo-hexitol [French] [ACD/IUPAC Name]
D-ribo-Hexitol, 1,5-anhydro-2,6-dideoxy-1-C-[2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-8-yl]-, (1R)- [ACD/Index 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: 866.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 286.9±27.8 °C
Index of Refraction: 1.665
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.01
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 205 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 375.0±3.0 cm3

Click to predict properties on the Chemicalize site


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