Found 83 results

Search term: MF = 'C_{13}H_{22}O_{7}'
ChemSpider 2D Image | Cellobial | C13H22O7

Cellobial

  • Molecular FormulaC13H22O7
  • Average mass290.310 Da
  • Monoisotopic mass290.136566 Da
  • ChemSpider ID58805531

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1,5-Anhydro-2,6-dideoxy-4-O-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]-D-arabino-hex-1-enitol [ACD/IUPAC Name]
1,5-Anhydro-2,6-didesoxy-4-O-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]-D-arabino-hex-1-enitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,6-didésoxy-4-O-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxyméthyl)cyclohexyl]-D-arabino-hex-1-énitol [French] [ACD/IUPAC Name]
490-51-7 [RN]
Cellobial
D-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-4-O-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]- [ACD/Index Name]
(1R,2S,3R,4R,6R)-4-(((2R,3S,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
MFCD22124324

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

Density: 1.4±0.1 g/cm3
Boiling Point: 493.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.7±6.0 kJ/mol
Flash Point: 252.5±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 69.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 120 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 203.7±5.0 cm3

Click to predict properties on the Chemicalize site


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