ChemSpider 2D Image | Methyl 10-acetoxy-9-{[(4-O-acetyl-6-deoxyhexopyranosyl)oxy]methyl}-12-hydroxy-2,4a,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picenecarboxylate | C40H62O11

Methyl 10-acetoxy-9-{[(4-O-acetyl-6-deoxyhexopyranosyl)oxy]methyl}-12-hydroxy-2,4a,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picenecarboxylate

  • Molecular FormulaC40H62O11
  • Average mass718.914 Da
  • Monoisotopic mass718.429199 Da
  • ChemSpider ID24625120

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

10-Acétoxy-9-{[(4-O-acétyl-6-désoxyhexopyranosyl)oxy]méthyl}-12-hydroxy-2,4a,6a,6b,12a-pentaméthyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picènecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Picenecarboxylic acid, 9-[[(4-O-acetyl-6-deoxyhexopyranosyl)oxy]methyl]-10-(acetyloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-eicosahydro-12-hydroxy-2,4a,6a,6b,12a-pentamethyl-, methy l ester [ACD/Index Name]
Methyl 10-acetoxy-9-{[(4-O-acetyl-6-deoxyhexopyranosyl)oxy]methyl}-12-hydroxy-2,4a,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picenecarboxylate [ACD/IUPAC Name]
Methyl-10-acetoxy-9-{[(4-O-acetyl-6-desoxyhexopyranosyl)oxy]methyl}-12-hydroxy-2,4a,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 731.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 211.5±26.4 °C
Index of Refraction: 1.561
Molar Refractivity: 188.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 57373.81
ACD/KOC (pH 5.5): 88688.81
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 57373.44
ACD/KOC (pH 7.4): 88688.23
Polar Surface Area: 158 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 580.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement