ChemSpider 2D Image | (1S,5S)-1,5-Anhydro-2,3-di-O-benzyl-4-deoxy-1-[(1S,2E,4S)-1-hydroxy-6-methoxy-5-(methoxycarbonyl)-4-methyl-6-oxo-2-hexen-1-yl]-5-(2-methoxy-2-oxoethyl)-L-threo-pentitol | C32H40O10

(1S,5S)-1,5-Anhydro-2,3-di-O-benzyl-4-deoxy-1-[(1S,2E,4S)-1-hydroxy-6-methoxy-5-(methoxycarbonyl)-4-methyl-6-oxo-2-hexen-1-yl]-5-(2-methoxy-2-oxoethyl)-L-threo-pentitol

  • Molecular FormulaC32H40O10
  • Average mass584.654 Da
  • Monoisotopic mass584.262146 Da
  • ChemSpider ID8754575

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,5S)-1,5-Anhydro-2,3-di-O-benzyl-4-deoxy-1-[(1S,2E,4S)-1-hydroxy-6-methoxy-5-(methoxycarbonyl)-4-methyl-6-oxo-2-hexen-1-yl]-5-(2-methoxy-2-oxoethyl)-L-threo-pentitol [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-2,3-di-O-benzyl-4-desoxy-1-[(1S,2E,4S)-1-hydroxy-6-methoxy-5-(methoxycarbonyl)-4-methyl-6-oxo-2-hexen-1-yl]-5-(2-methoxy-2-oxoethyl)-L-threo-pentitol [German] [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-2,3-di-O-benzyl-4-désoxy-1-[(1S,2E,4S)-1-hydroxy-6-méthoxy-5-(méthoxycarbonyl)-4-méthyl-6-oxo-2-hexén-1-yl]-5-(2-méthoxy-2-oxoéthyl)-L-thréo-pentitol [French] [ACD/IUPAC 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: 640.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 195.6±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2570.76
ACD/KOC (pH 5.5): 9605.44
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2570.71
ACD/KOC (pH 7.4): 9605.27
Polar Surface Area: 127 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

Click to predict properties on the Chemicalize site


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