ChemSpider 2D Image | (2R,3S,4S,4a'S,5R,6'R,7'R,7a'S)-4a',5,6'-Tris(hydroxymethyl)hexahydro-3H-spiro[furan-2,2'-furo[2,3-b][1,4]dioxine]-3,4,7'-triol (non-preferred name) | C12H20O10

(2R,3S,4S,4a'S,5R,6'R,7'R,7a'S)-4a',5,6'-Tris(hydroxymethyl)hexahydro-3H-spiro[furan-2,2'-furo[2,3-b][1,4]dioxine]-3,4,7'-triol (non-preferred name)

  • Molecular FormulaC12H20O10
  • Average mass324.281 Da
  • Monoisotopic mass324.105652 Da
  • ChemSpider ID114814764

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3S,4S,4a'S,5R,6'R,7'R,7a'S)-4a',5,6'-Tris(hydroxymethyl)hexahydro-3H-spiro[furan-2,2'-furo[2,3-b][1,4]dioxine]-3,4,7'-triol (non-preferred name) [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.40
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.40
Polar Surface Area: 158 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 101.5±5.0 dyne/cm
Molar Volume: 184.6±5.0 cm3

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