ChemSpider 2D Image | (1S,3S,4R,5R)-1-(3,5-Dihydroxy-6-methoxy-2-methyltetrahydro-2H-pyran-3-yl)-3-methoxy-1,4,5-hexanetriol (non-preferred name) | C14H28O8

(1S,3S,4R,5R)-1-(3,5-Dihydroxy-6-methoxy-2-methyltetrahydro-2H-pyran-3-yl)-3-methoxy-1,4,5-hexanetriol (non-preferred name)

  • Molecular FormulaC14H28O8
  • Average mass324.367 Da
  • Monoisotopic mass324.178406 Da
  • ChemSpider ID78445047

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(1S,3S,4R,5R)-1-(3,5-Dihydroxy-6-methoxy-2-methyltetrahydro-2H-pyran-3-yl)-3-methoxy-1,4,5-hexanetriol (non-preferred name) [ACD/IUPAC Name]
(1S,3S,4R,5R)-1-(3,5-Dihydroxy-6-méthoxy-2-méthyltétrahydro-2H-pyran-3-yl)-3-méthoxy-1,4,5-hexanetriol (non-preferred name) [French] [ACD/IUPAC Name]
(1S,3S,4R,5R)-1-(3,5-Dihydroxy-6-methoxy-2-methyltetrahydro-2H-pyran-3-yl)-3-methoxy-1,4,5-hexantriol (non-preferred name) [German] [ACD/IUPAC Name]
caryophyllan

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 283.1±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 129 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 251.4±5.0 cm3

Click to predict properties on the Chemicalize site


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