ChemSpider 2D Image | Methyl (1S,4aS,7S,7aS)-1-[(4,6-O-isopropylidene-beta-D-glucopyranosyl)oxy]-7-{[(2-methoxy-2-propanyl)oxy]methyl}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate | C24H38O11

Methyl (1S,4aS,7S,7aS)-1-[(4,6-O-isopropylidene-β-D-glucopyranosyl)oxy]-7-{[(2-methoxy-2-propanyl)oxy]methyl}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC24H38O11
  • Average mass502.552 Da
  • Monoisotopic mass502.241425 Da
  • ChemSpider ID9082509
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1S,4aS,7S,7aS)-1-[(4,6-O-Isopropylidène-β-D-glucopyranosyl)oxy]-7-{[(2-méthoxy-2-propanyl)oxy]méthyl}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-[(1-methoxy-1-methylethoxy)methyl]-1-[[4,6-O-(1-methylethylidene)-β-D-glucopyranosyl]oxy]-, methyl ester, (1S,4aS,7S,7aS)- [ACD/Index Name]
Methyl (1S,4aS,7S,7aS)-1-[(4,6-O-isopropylidene-β-D-glucopyranosyl)oxy]-7-{[(2-methoxy-2-propanyl)oxy]methyl}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,7S,7aS)-1-[(4,6-O-isopropyliden-β-D-glucopyranosyl)oxy]-7-{[(2-methoxy-2-propanyl)oxy]methyl}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 601.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 195.5±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.13
ACD/KOC (pH 5.5): 96.06
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.13
ACD/KOC (pH 7.4): 96.06
Polar Surface Area: 131 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

Click to predict properties on the Chemicalize site






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