ChemSpider 2D Image | (1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl 6-deoxy-alpha-L-galactopyranoside | C26H38O6

(1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl 6-deoxy-α-L-galactopyranoside

  • Molecular FormulaC26H38O6
  • Average mass446.576 Da
  • Monoisotopic mass446.266846 Da
  • ChemSpider ID29215806

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl 6-deoxy-α-L-galactopyranoside [ACD/IUPAC Name]
(1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl-6-desoxy-α-L-galactopyranosid [German] [ACD/IUPAC Name]
121011-80-1 [RN]
6-Désoxy-α-L-galactopyranoside de (1S,3R,7S,9aR)-6-hydroxy-1,4,7-triméthyl-3-(2-méthyl-1-propén-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phénalén-5-yle [French] [ACD/IUPAC Name]
α-L-Galactopyranoside, (1S,3R,7S,9aR)-2,3,7,8,9,9a-hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-1H-phenalen-5-yl 6-deoxy- [ACD/Index Name]
(2S,3S,4R,5S,6S)-2-[[(4R,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol
pseudopterosin E

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

JB99Y7528W [DBID]
UNII:JB99Y7528W [DBID]
UNII-JB99Y7528W [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.9±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5190.10
ACD/KOC (pH 5.5): 15882.27
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5179.93
ACD/KOC (pH 7.4): 15851.13
Polar Surface Area: 99 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 363.3±3.0 cm3

Click to predict properties on the Chemicalize site


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