ChemSpider 2D Image | (3aR,3bS,8R,8aR,9aR)-7-(Hydroxymethyl)-2,2-dimethyl-3a,3b,5,8,8a,9a-hexahydro[1,3]dioxolo[4,5]furo[3,2-b]oxepin-8-ol | C12H18O6

(3aR,3bS,8R,8aR,9aR)-7-(Hydroxymethyl)-2,2-dimethyl-3a,3b,5,8,8a,9a-hexahydro[1,3]dioxolo[4,5]furo[3,2-b]oxepin-8-ol

  • Molecular FormulaC12H18O6
  • Average mass258.268 Da
  • Monoisotopic mass258.110352 Da
  • ChemSpider ID30659030

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,3bS,8R,8aR,9aR)-7-(Hydroxymethyl)-2,2-dimethyl-3a,3b,5,8,8a,9a-hexahydro[1,3]dioxolo[4,5]furo[3,2-b]oxepin-8-ol [ACD/IUPAC Name]
(3aR,3bS,8R,8aR,9aR)-7-(Hydroxymethyl)-2,2-dimethyl-3a,3b,5,8,8a,9a-hexahydro[1,3]dioxolo[4,5]furo[3,2-b]oxepin-8-ol [German] [ACD/IUPAC Name]
(3aR,3bS,8R,8aR,9aR)-7-(Hydroxyméthyl)-2,2-diméthyl-3a,3b,5,8,8a,9a-hexahydro[1,3]dioxolo[4,5]furo[3,2-b]oxépin-8-ol [French] [ACD/IUPAC Name]
α-D-gluco-Oct-6-enofuranose, 3,8-anhydro-6,7-dideoxy-6-(hydroxymethyl)-1,2-O-(1-methylethylidene)- [ACD/Index 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: 430.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 213.9±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.55
ACD/KOC (pH 5.5): 133.59
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.55
ACD/KOC (pH 7.4): 133.59
Polar Surface Area: 77 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 202.1±3.0 cm3

Click to predict properties on the Chemicalize site


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