ChemSpider 2D Image | (1S,3S,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 2,4-di-O-acetyl-6-deoxy-alpha-L-galactopyranoside | C30H42O8

(1S,3S,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 2,4-di-O-acetyl-6-deoxy-α-L-galactopyranoside

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID9504965

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3S,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 2,4-di-O-acetyl-6-deoxy-α-L-galactopyranoside [ACD/IUPAC Name]
(1S,3S,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-2,4-di-O-acetyl-6-desoxy-α-L-galactopyranosid [German] [ACD/IUPAC Name]
2,4-Di-O-acétyl-6-désoxy-α-L-galactopyranoside de (1S,3S,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,3S,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-, 2,4-diacetate [ACD/Index 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: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 187.0±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26315.34
ACD/KOC (pH 5.5): 50765.29
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26258.10
ACD/KOC (pH 7.4): 50654.88
Polar Surface Area: 112 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 433.2±5.0 cm3

Click to predict properties on the Chemicalize site


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