ChemSpider 2D Image | (1S,4aR,5R,7S,7aS)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl alpha-D-galactopyranoside | C21H34O14

(1S,4aR,5R,7S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl α-D-galactopyranoside

  • Molecular FormulaC21H34O14
  • Average mass510.486 Da
  • Monoisotopic mass510.194855 Da
  • ChemSpider ID57620784

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S,4aR,5R,7S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl α-D-galactopyranoside [ACD/IUPAC Name]
(1S,4aR,5R,7S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
α-D-Galactopyranoside de (1S,4aR,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-5-hydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yle [French] [ACD/IUPAC Name]
α-D-Galactopyranoside, (1S,4aR,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methylcyclopenta[c]pyran-7-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5-hydroxy-7-methyl-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
81720-07-2 [RN]
Rehmannioside C
RhMannioside C

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

Density: 1.7±0.1 g/cm3
Boiling Point: 803.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 133.0±6.0 kJ/mol
Flash Point: 439.5±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -5.80
ACD/LogD (pH 5.5): -4.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 97.2±5.0 dyne/cm
Molar Volume: 306.8±5.0 cm3

Click to predict properties on the Chemicalize site


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