ChemSpider 2D Image | (2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 6-O-alpha-D-galactopyranosyl-alpha-D-galactopyranoside | C18H32O16

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

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID8454323

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 6-O-α-D-galactopyranosyl-α-D-galactopyranoside [ACD/IUPAC Name]
(2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl-6-O-α-D-galactopyranosyl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Galactopyranosyl-α-D-galactopyranoside de (2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Galactopyranoside, (2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 6-O-α-D-galactopyranosyl- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 812.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.5±6.0 kJ/mol
Flash Point: 445.1±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -4.00
ACD/LogD (pH 5.5): -4.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 131.0±5.0 dyne/cm
Molar Volume: 270.6±5.0 cm3

Click to predict properties on the Chemicalize site


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