ChemSpider 2D Image | (4aS,5S,7R,8R,8aS)-5-(Benzyloxy)-7-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxin-8-ol | C19H28O8

(4aS,5S,7R,8R,8aS)-5-(Benzyloxy)-7-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxin-8-ol

  • Molecular FormulaC19H28O8
  • Average mass384.421 Da
  • Monoisotopic mass384.178406 Da
  • ChemSpider ID32780474

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4aS,5S,7R,8R,8aS)-5-(Benzyloxy)-7-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxin-8-ol [ACD/IUPAC Name]
(4aS,5S,7R,8R,8aS)-5-(Benzyloxy)-7-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxin-8-ol [German] [ACD/IUPAC Name]
(4aS,5S,7R,8R,8aS)-5-(Benzyloxy)-7-(hydroxyméthyl)-2,3-diméthoxy-2,3-diméthylhexahydro-5H-pyrano[3,4-b][1,4]dioxin-8-ol [French] [ACD/IUPAC Name]
1423035-45-3 [RN]
BEnzyl 3,4-o-(2',3'-dimethoxybutane-2',3'-diyl)-α-d-mannopyanoside
MFCD18643011
QB-0662

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.0±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.90
ACD/KOC (pH 5.5): 757.13
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.90
ACD/KOC (pH 7.4): 757.13
Polar Surface Area: 96 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 300.7±5.0 cm3

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