ChemSpider 2D Image | 5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl 3-O-acetylpentopyranoside | C27H38O7

5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl 3-O-acetylpentopyranoside

  • Molecular FormulaC27H38O7
  • Average mass474.586 Da
  • Monoisotopic mass474.261749 Da
  • ChemSpider ID57487371

More details:

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

3-O-Acétylpentopyranoside de 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]
5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl 3-O-acetylpentopyranoside [ACD/IUPAC Name]
5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl-3-O-acetylpentopyranosid [German] [ACD/IUPAC Name]
Pentopyranoside, 2,3,7,8,9,9a-hexahydro-5-hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-1H-phenalen-4-yl, 3-acetate [ACD/Index Name]
B-D-XYLOPYRANOSIDE,(3S,7R,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,3-ACETATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 197.7±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3551.07
ACD/KOC (pH 5.5): 12104.19
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3539.63
ACD/KOC (pH 7.4): 12065.21
Polar Surface Area: 105 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 378.9±5.0 cm3

Click to predict properties on the Chemicalize site


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