Found 1 result

Search term: MNFADCCGRFHLCI-RAXAYGSNBE (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (4aS,7aS)-7-methyl-1-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | C25H32O13

Methyl (4aS,7aS)-7-methyl-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC25H32O13
  • Average mass540.514 Da
  • Monoisotopic mass540.184265 Da
  • ChemSpider ID8967848

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4aS,7aS)-7-Méthyl-1-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tétrahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-methyl-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, methyl ester, (4aS,7aS)- [ACD/Index Name]
Methyl (4aS,7aS)-7-methyl-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(4aS,7aS)-7-methyl-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 250.5±30.2 °C
Index of Refraction: 1.530
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.32
ACD/KOC (pH 5.5): 969.11
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.32
ACD/KOC (pH 7.4): 969.11
Polar Surface Area: 159 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 405.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement