Found 24 results

Search term: MF = 'C_{31}H_{32}O_{12}'
ChemSpider 2D Image | (1R)-1,5-Anhydro-2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-1-[(3R,4aR,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-D-arabi no-hexitol | C31H32O12

(1R)-1,5-Anhydro-2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-1-[(3R,4aR,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-D-arabi no-hexitol

  • Molecular FormulaC31H32O12
  • Average mass596.579 Da
  • Monoisotopic mass596.189392 Da
  • ChemSpider ID8252783

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-1-[(3R,4aR,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-D-arabi no-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didesoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-1-[(3R,4aR,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-D-arab ino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didésoxy-4-O-[(2R,6S)-6-méthyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-1-[(3R,4aR,12bS)-3,4a,8,12b-tétrahydroxy-3-méthyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tétraphényl]-D-arab ino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-2,6-dideoxy-4-O-[(2R,6S)-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl]-1-C-[(3R,4aR,12bS)-1,2,3,4,4a,7,12,12b-octahydro-3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxobenz[a] anthracen-9-yl]-, (1R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 876.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 287.1±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 6.74
ACD/KOC (pH 5.5): 126.81
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.70
Polar Surface Area: 197 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 377.7±5.0 cm3

Click to predict properties on the Chemicalize site


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