ChemSpider 2D Image | Austin | C27H32O9

Austin

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID52083136
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1S,2R,5S,8R,9R,12S,13S)-12-Hydroxy-2,2',2',6,9,13-hexamethyl-16-methylene-6',11,15-trioxo-6'H-spiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-8-yl acetate [ACD/IUPAC Name]
Austin [Wiki]
61103-89-7 [RN]

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

UNII:TTT25XE98E [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 704.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 235.4±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.67
ACD/KOC (pH 5.5): 1952.90
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.09
ACD/KOC (pH 7.4): 1948.80
Polar Surface Area: 125 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 370.7±5.0 cm3

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