ChemSpider 2D Image | Dimethyl (7S,8S)-2-(benzyloxy)-1-[(4R,5R)-4-(benzyloxy)-5-methyl-6-phenylhexyl]-7-hydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.0~3,8~]decane-7,8-dicarboxylate | C38H42O11

Dimethyl (7S,8S)-2-(benzyloxy)-1-[(4R,5R)-4-(benzyloxy)-5-methyl-6-phenylhexyl]-7-hydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]decane-7,8-dicarboxylate

  • Molecular FormulaC38H42O11
  • Average mass674.734 Da
  • Monoisotopic mass674.272705 Da
  • ChemSpider ID26569994

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(7S,8S)-2-(Benzyloxy)-1-[(4R,5R)-4-(benzyloxy)-5-méthyl-6-phénylhexyl]-7-hydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]décane-7,8-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (7S,8S)-2-(benzyloxy)-1-[(4R,5R)-4-(benzyloxy)-5-methyl-6-phenylhexyl]-7-hydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]decane-7,8-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(7S,8S)-2-(benzyloxy)-1-[(4R,5R)-4-(benzyloxy)-5-methyl-6-phenylhexyl]-7-hydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]decan-7,8-dicarboxylat [German] [ACD/IUPAC 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: 756.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 230.5±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 176.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 406429.69
ACD/KOC (pH 5.5): 360140.78
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 403406.97
ACD/KOC (pH 7.4): 357462.34
Polar Surface Area: 136 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 510.3±5.0 cm3

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