ChemSpider 2D Image | (5R,8S)-2-Hydroxy-3,8-dimethyl-5-[(2S)-6-methyl-5-hepten-2-yl]-5,6,7,8-tetrahydro-1-naphthalenyl 2-O-acetyl-beta-D-arabinopyranoside | C27H40O7

(5R,8S)-2-Hydroxy-3,8-dimethyl-5-[(2S)-6-methyl-5-hepten-2-yl]-5,6,7,8-tetrahydro-1-naphthalenyl 2-O-acetyl-β-D-arabinopyranoside

  • Molecular FormulaC27H40O7
  • Average mass476.602 Da
  • Monoisotopic mass476.277405 Da
  • ChemSpider ID24716722

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R,8S)-2-Hydroxy-3,8-dimethyl-5-[(2S)-6-methyl-5-hepten-2-yl]-5,6,7,8-tetrahydro-1-naphthalenyl 2-O-acetyl-β-D-arabinopyranoside [ACD/IUPAC Name]
(5R,8S)-2-Hydroxy-3,8-dimethyl-5-[(2S)-6-methyl-5-hepten-2-yl]-5,6,7,8-tetrahydro-1-naphthalinyl-2-O-acetyl-β-D-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-β-D-arabinopyranoside de (5R,8S)-2-hydroxy-3,8-diméthyl-5-[(2S)-6-méthyl-5-heptén-2-yl]-5,6,7,8-tétrahydro-1-naphtalényle [French] [ACD/IUPAC Name]
β-D-Arabinopyranoside, (5R,8S)-5-[(1S)-1,5-dimethyl-4-hexen-1-yl]-5,6,7,8-tetrahydro-2-hydroxy-3,8-dimethyl-1-naphthalenyl, 2-acetate [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515959/
seco-pseudopterosin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 190.1±23.6 °C
Index of Refraction: 1.564
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5654.03
ACD/KOC (pH 5.5): 16885.90
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5633.20
ACD/KOC (pH 7.4): 16823.69
Polar Surface Area: 105 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 397.5±5.0 cm3

Click to predict properties on the Chemicalize site


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