ChemSpider 2D Image | Ciceritol | C19H34O16

Ciceritol

  • Molecular FormulaC19H34O16
  • Average mass518.464 Da
  • Monoisotopic mass518.184692 Da
  • ChemSpider ID25779784
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(1S,2S,3R,4S,5R,6S)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexyl 6-O-α-D-glucopyranosyl-α-D-mannopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,5R,6S)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexyl-6-O-α-D-glucopyranosyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Glucopyranosyl-α-D-mannopyranoside de (1S,2S,3R,4S,5R,6S)-2,3,4,6-tétrahydroxy-5-méthoxycyclohexyle [French] [ACD/IUPAC Name]
Ciceritol [Wiki]
α-D-galactpyranosyl-(1→6)-α-D-galactopyranosyl-(1→2)-4-O-methyl-chiro-inositol
α-D-Mannopyranoside, (1S,2S,3R,4S,5R,6S)-2,3,4,6-tetrahydroxy-5-methoxycyclohexyl 6-O-α-D-glucopyranosyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 822.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 451.4±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 295.4±5.0 cm3

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