ChemSpider 2D Image | Samarcandin | C24H32O5

Samarcandin

  • Molecular FormulaC24H32O5
  • Average mass400.508 Da
  • Monoisotopic mass400.224976 Da
  • ChemSpider ID32698016

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

28699-16-3 [RN]
2H-1-Benzopyran-2-one, 7-[[(1S,2R,4aR,6R,8aS)-decahydro-2,6-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]methoxy]- [ACD/Index Name]
7-{[(1S,2R,4aR,6R,8aS)-2,6-Dihydroxy-2,5,5,8a-tétraméthyldécahydro-1-naphtalényl]méthoxy}-2H-chromén-2-one [French] [ACD/IUPAC Name]
7-{[(1S,2R,4aR,6R,8aS)-2,6-Dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one [ACD/IUPAC Name]
7-{[(1S,2R,4aR,6R,8aS)-2,6-Dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalinyl]methoxy}-2H-chromen-2-on [German] [ACD/IUPAC Name]
Samarcandin

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

67V8EQ6Y2Q [DBID]
UNII:67V8EQ6Y2Q [DBID]
UNII-67V8EQ6Y2Q [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: 560.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 189.1±23.6 °C
Index of Refraction: 1.560
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 557.77
ACD/KOC (pH 5.5): 3217.48
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 557.77
ACD/KOC (pH 7.4): 3217.48
Polar Surface Area: 76 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

Click to predict properties on the Chemicalize site


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