ChemSpider 2D Image | (1S,4aS,7aS)-4-Glycoloyl-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl D-glucopyranoside | C17H24O10

(1S,4aS,7aS)-4-Glycoloyl-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl D-glucopyranoside

  • Molecular FormulaC17H24O10
  • Average mass388.366 Da
  • Monoisotopic mass388.136932 Da
  • ChemSpider ID23089587

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,4aS,7aS)-4-(hydroxyacetyl)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl D-glucopyranoside
(1S,4aS,7aS)-4-Glycoloyl-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl D-glucopyranoside [ACD/IUPAC Name]
(1S,4aS,7aS)-4-Glycoloyl-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de (1S,4aS,7aS)-4-(2-hydroxyacétyl)-7-(hydroxyméthyl)-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]
Ethanone, 1-[(1S,4aS,7aS)-1-(D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-4-yl]-2-hydroxy- [ACD/Index Name]
24512-63-8 [RN]
MFCD16036219 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 693.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 251.3±25.0 °C
Index of Refraction: 1.647
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.58
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 166 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 243.1±5.0 cm3

Click to predict properties on the Chemicalize site


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