ChemSpider 2D Image | (1S,2S,3R,4S,5R,6S)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexyl 6-O-alpha-D-galactopyranosyl-alpha-D-galactopyranoside | C19H34O16

(1S,2S,3R,4S,5R,6S)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexyl 6-O-α-D-galactopyranosyl-α-D-galactopyranoside

  • Molecular FormulaC19H34O16
  • Average mass518.464 Da
  • Monoisotopic mass518.184692 Da
  • ChemSpider ID8318163
  • 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-galactopyranosyl-α-D-galactopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,5R,6S)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexyl-6-O-α-D-galactopyranosyl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Galactopyranosyl-α-D-galactopyranoside de (1S,2S,3R,4S,5R,6S)-2,3,4,6-tétrahydroxy-5-méthoxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Galactopyranoside, (1S,2S,3R,4S,5R,6S)-2,3,4,6-tetrahydroxy-5-methoxycyclohexyl 6-O-α-D-galactopyranosyl- [ACD/Index Name]
<i>O</i>;-&α;-D-galactopyranosyl-(1->6)-<i>O</i&gt;-&α;-D-galactopyranosyl-(1->2)-4-<i>O</i>-methyl-<i&gt;chiro</i>-inositol
(1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol
88167-26-4 [RN]
Ciceritol [Wiki]

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

Click to predict properties on the Chemicalize site






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