Found 34 results

Search term: MF = 'C_{20}H_{20}N_{2}O_{8}S_{2}'
ChemSpider 2D Image | dithioaspergillazine A | C20H20N2O8S2

dithioaspergillazine A

  • Molecular FormulaC20H20N2O8S2
  • Average mass480.511 Da
  • Monoisotopic mass480.066101 Da
  • ChemSpider ID60596794

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3aS,5aR,8R,8aS,8bR)-N-(7,8-Dimethoxy-2-oxo-2H-chromen-3-yl)-8,8b-dihydroxy-3,3a,5a,8,8a,8b-hexahydro-2H-[1,2]dithiolo[3,4,5-de][1,2]benzoxazin-3-carboxamid [German] [ACD/IUPAC Name]
(3aS,5aR,8R,8aS,8bR)-N-(7,8-Dimethoxy-2-oxo-2H-chromen-3-yl)-8,8b-dihydroxy-3,3a,5a,8,8a,8b-hexahydro-2H-[1,2]dithiolo[3,4,5-de][1,2]benzoxazine-3-carboxamide [ACD/IUPAC Name]
(3aS,5aR,8R,8aS,8bR)-N-(7,8-Diméthoxy-2-oxo-2H-chromén-3-yl)-8,8b-dihydroxy-3,3a,5a,8,8a,8b-hexahydro-2H-[1,2]dithiolo[3,4,5-de][1,2]benzoxazine-3-carboxamide [French] [ACD/IUPAC Name]
2H-[1,2]Dithiolo[3,4,5-de]-1,2-benzoxazine-3-carboxamide, N-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-3-yl)-3,3a,5a,8,8a,8b-hexahydro-8,8b-dihydroxy-, (3aS,5aR,8R,8aS,8bR)- [ACD/Index Name]
dithioaspergillazine A

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.68
ACD/KOC (pH 5.5): 226.37
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.64
ACD/KOC (pH 7.4): 225.66
Polar Surface Area: 186 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 89.4±5.0 dyne/cm
Molar Volume: 288.1±5.0 cm3

Click to predict properties on the Chemicalize site


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