ChemSpider 2D Image | (1S,4aR,5R,7aR)-4a,5-Dihydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside | C15H22O10

(1S,4aR,5R,7aR)-4a,5-Dihydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside

  • Molecular FormulaC15H22O10
  • Average mass362.329 Da
  • Monoisotopic mass362.121307 Da
  • ChemSpider ID84393791

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aR,5R,7aR)-4a,5-Dihydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4aR,5R,7aR)-4a,5-Dihydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,4aR,5R,7aR)-4a,5-dihydroxy-7-(hydroxyméthyl)-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,4aR,5R,7aR)-1,4a,5,7a-tetrahydro-4a,5-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl [ACD/Index Name]
20633-72-1 [RN]
Danmelittoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 693.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 373.1±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.05
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 102.6±5.0 dyne/cm
Molar Volume: 211.8±5.0 cm3

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