ChemSpider 2D Image | Alisiaquinone C | C23H23NO7S

Alisiaquinone C

  • Molecular FormulaC23H23NO7S
  • Average mass457.496 Da
  • Monoisotopic mass457.119507 Da
  • ChemSpider ID23330157

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,5aR,14bS,14cS) 9,9-Dioxyde de 5a-hydroxy-3a,14b-diméthyl-1,2,3,3a,4,5a,11,12,14b,14c-décahydrofuro[4',3',2':4,5]tétraphéno[9,10-b][1,4]thiazine-6,8,13(10H)-trione [French] [ACD/IUPAC Name]
(3aS,5aR,14bS,14cS)-5a-Hydroxy-3a,14b-dimethyl-1,2,3,3a,4,5a,11,12,14b,14c-decahydrofuro[4',3',2':4,5]tetrapheno[9,10-b][1,4]thiazin-6,8,13(10H)-trion-9,9-dioxid [German] [ACD/IUPAC Name]
(3aS,5aR,14bS,14cS)-5a-Hydroxy-3a,14b-dimethyl-1,2,3,3a,4,5a,11,12,14b,14c-decahydrofuro[4',3',2':4,5]tetrapheno[9,10-b][1,4]thiazine-6,8,13(10H)-trione 9,9-dioxide [ACD/IUPAC Name]
Alisiaquinone C
alisiaquninone C
Isobenzofuro[7',1':5,6,7]anthra[2,3-b][1,4]thiazine-6,8,13(10H)-trione, 1,2,3,3a,4,5a,11,12,14b,14c-decahydro-5a-hydroxy-3a,14b-dimethyl-, 9,9-dioxide, (3aS,5aR,14bS,14cS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472162/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 760.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.5±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 110.91
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 110.86
Polar Surface Area: 135 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 288.1±5.0 cm3

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