ChemSpider 2D Image | pseudopterosin J | C28H40O7

pseudopterosin J

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID26392675

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,7S,9S,9aR)-5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl 4-O-acetyl-6-deoxy-α-L-galactopyranoside [ACD/IUPAC Name]
(3S,7S,9S,9aR)-5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl-4-O-acetyl-6-desoxy-α-L-galactopyranosid [German] [ACD/IUPAC Name]
4-O-Acétyl-6-désoxy-α-L-galactopyranoside de (3S,7S,9S,9aR)-5-hydroxy-3,6,9-triméthyl-7-(2-méthyl-1-propén-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phénalén-4-yle [French] [ACD/IUPAC Name]
pseudopterosin J
α-L-Galactopyranoside, (3S,7S,9S,9aR)-2,3,7,8,9,9a-hexahydro-5-hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-1H-phenalen-4-yl 6-deoxy-, 4-acetate [ACD/Index Name]
acetic acid [(2S,3S,4S,5S,6S)-6-[[(4S,6S,6aR,9S)-2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]oxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl] ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 192.9±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9959.11
ACD/KOC (pH 5.5): 25322.73
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9926.98
ACD/KOC (pH 7.4): 25241.04
Polar Surface Area: 105 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 395.6±5.0 cm3

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