ChemSpider 2D Image | (2S,4S,6S)-6-[(2S)-2,4-Bis(benzyloxy)butyl]-2-methoxy-2-({(7S,9R)-9-[(methoxymethoxy)methyl]-1,4,8-trioxaspiro[4.5]dec-7-yl}methyl)-3,3-dimethyltetrahydro-2H-pyran-4-ol | C37H54O10

(2S,4S,6S)-6-[(2S)-2,4-Bis(benzyloxy)butyl]-2-methoxy-2-({(7S,9R)-9-[(methoxymethoxy)methyl]-1,4,8-trioxaspiro[4.5]dec-7-yl}methyl)-3,3-dimethyltetrahydro-2H-pyran-4-ol

  • Molecular FormulaC37H54O10
  • Average mass658.819 Da
  • Monoisotopic mass658.371704 Da
  • ChemSpider ID9402652

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,4S,6S)-6-[(2S)-2,4-Bis(benzyloxy)butyl]-2-methoxy-2-({(7S,9R)-9-[(methoxymethoxy)methyl]-1,4,8-trioxaspiro[4.5]dec-7-yl}methyl)-3,3-dimethyltetrahydro-2H-pyran-4-ol [ACD/IUPAC Name]
(2S,4S,6S)-6-[(2S)-2,4-Bis(benzyloxy)butyl]-2-methoxy-2-({(7S,9R)-9-[(methoxymethoxy)methyl]-1,4,8-trioxaspiro[4.5]dec-7-yl}methyl)-3,3-dimethyltetrahydro-2H-pyran-4-ol [German] [ACD/IUPAC Name]
(2S,4S,6S)-6-[(2S)-2,4-Bis(benzyloxy)butyl]-2-méthoxy-2-({(7S,9R)-9-[(méthoxyméthoxy)méthyl]-1,4,8-trioxaspiro[4.5]déc-7-yl}méthyl)-3,3-diméthyltétrahydro-2H-pyran-4-ol [French] [ACD/IUPAC Name]
2H-Pyran-4-ol, 6-[(2S)-2,4-bis(phenylmethoxy)butyl]tetrahydro-2-methoxy-2-[[(7S,9R)-9-[(methoxymethoxy)methyl]-1,4,8-trioxaspiro[4.5]dec-7-yl]methyl]-3,3-dimethyl-, (2S,4S,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 729.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 178.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3719.33
ACD/KOC (pH 5.5): 12512.18
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3719.33
ACD/KOC (pH 7.4): 12512.18
Polar Surface Area: 103 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 554.2±5.0 cm3

Click to predict properties on the Chemicalize site


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