ChemSpider 2D Image | 1-[8-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]ethanone | C25H32O13

1-[8-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]ethanone

  • Molecular FormulaC25H32O13
  • Average mass540.514 Da
  • Monoisotopic mass540.184265 Da
  • ChemSpider ID8896516

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-[8-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]ethanone
245724-11-2 [RN]
2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 7-acétyl-8-hydroxy-3-méthoxy-6-méthyl-1-naphtyle [French] [ACD/IUPAC Name]
7-Acetyl-8-hydroxy-3-methoxy-6-methyl-1-naphthyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
7-Acetyl-8-hydroxy-3-methoxy-6-methyl-1-naphthyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[1-hydroxy-6-methoxy-3-methyl-8-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]-2-naphthalenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 840.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 282.3±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.32
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.67
Polar Surface Area: 205 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 341.7±5.0 cm3

Click to predict properties on the Chemicalize site


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