ChemSpider 2D Image | (5S,6R,7S,8S)-8,12-Dihydroxy-1,2,3,10,11-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl acetate | C25H32O9

(5S,6R,7S,8S)-8,12-Dihydroxy-1,2,3,10,11-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl acetate

  • Molecular FormulaC25H32O9
  • Average mass476.516 Da
  • Monoisotopic mass476.204620 Da
  • ChemSpider ID23340826

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(5S,6R,7S,8S)-8,12-Dihydroxy-1,2,3,10,11-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl acetate [ACD/IUPAC Name]
(5S,6R,7S,8S)-8,12-Dihydroxy-1,2,3,10,11-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5S,6R,7S,8S)-8,12-dihydroxy-1,2,3,10,11-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-5-yle [French] [ACD/IUPAC Name]
Dibenzo[a,c]cyclooctene-1,5,8-triol, 5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, 8-acetate, (5S,6S,7R,8S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459243/
Kadangustin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 204.9±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.20
ACD/KOC (pH 5.5): 661.43
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.00
ACD/KOC (pH 7.4): 626.85
Polar Surface Area: 113 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 369.8±5.0 cm3

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