ChemSpider 2D Image | (1R)-1,5-Anhydro-4-O-benzoyl-1-[1-(benzoyloxy)-5,8-dimethoxy-2-naphthyl]-3-O-[(2S,5S,6S)-5-(benzoyloxy)-6-methyltetrahydro-2H-pyran-2-yl]-2,6-dideoxy-D-arabino-hexitol | C45H44O11

(1R)-1,5-Anhydro-4-O-benzoyl-1-[1-(benzoyloxy)-5,8-dimethoxy-2-naphthyl]-3-O-[(2S,5S,6S)-5-(benzoyloxy)-6-methyltetrahydro-2H-pyran-2-yl]-2,6-dideoxy-D-arabino-hexitol

  • Molecular FormulaC45H44O11
  • Average mass760.824 Da
  • Monoisotopic mass760.288391 Da
  • ChemSpider ID9128005

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-4-O-benzoyl-1-[1-(benzoyloxy)-5,8-dimethoxy-2-naphthyl]-3-O-[(2S,5S,6S)-5-(benzoyloxy)-6-methyltetrahydro-2H-pyran-2-yl]-2,6-dideoxy-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-4-O-benzoyl-1-[1-(benzoyloxy)-5,8-dimethoxy-2-naphthyl]-3-O-[(2S,5S,6S)-5-(benzoyloxy)-6-methyltetrahydro-2H-pyran-2-yl]-2,6-didesoxy-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-4-O-benzoyl-1-[1-(benzoyloxy)-5,8-diméthoxy-2-naphtyl]-3-O-[(2S,5S,6S)-5-(benzoyloxy)-6-méthyltétrahydro-2H-pyran-2-yl]-2,6-didésoxy-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-1-C-[1-(benzoyloxy)-5,8-dimethoxy-2-naphthalenyl]-3-O-[(2S,5S,6S)-5-(benzoyloxy)tetrahydro-6-methyl-2H-pyran-2-yl]-2,6-dideoxy-, benzoate, (1R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 868.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 345.7±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 207.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1152874.13
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1152874.13
Polar Surface Area: 125 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 578.5±5.0 cm3

Click to predict properties on the Chemicalize site


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