Found 34 results

Search term: MF = 'C_{20}H_{20}N_{2}O_{8}S_{2}'
ChemSpider 2D Image | (4S,5R,8R,9R)-N-(7,8-Dimethoxy-2-oxo-2H-chromen-3-yl)-5,9-dihydroxy-3-oxa-11,12-dithia-2-azatricyclo[6.2.2.0~4,9~]dodec-6-ene-1-carboxamide | C20H20N2O8S2

(4S,5R,8R,9R)-N-(7,8-Dimethoxy-2-oxo-2H-chromen-3-yl)-5,9-dihydroxy-3-oxa-11,12-dithia-2-azatricyclo[6.2.2.04,9]dodec-6-ene-1-carboxamide

  • Molecular FormulaC20H20N2O8S2
  • Average mass480.511 Da
  • Monoisotopic mass480.066101 Da
  • ChemSpider ID78437171

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,5R,8R,9R)-N-(7,8-Dimethoxy-2-oxo-2H-chromen-3-yl)-5,9-dihydroxy-3-oxa-11,12-dithia-2-azatricyclo[6.2.2.04,9]dodec-6-en-1-carboxamid [German] [ACD/IUPAC Name]
(4S,5R,8R,9R)-N-(7,8-Dimethoxy-2-oxo-2H-chromen-3-yl)-5,9-dihydroxy-3-oxa-11,12-dithia-2-azatricyclo[6.2.2.04,9]dodec-6-ene-1-carboxamide [ACD/IUPAC Name]
(4S,5R,8R,9R)-N-(7,8-Diméthoxy-2-oxo-2H-chromén-3-yl)-5,9-dihydroxy-3-oxa-11,12-dithia-2-azatricyclo[6.2.2.04,9]dodéc-6-ène-1-carboxamide [French] [ACD/IUPAC Name]
3,5-Epidithio-2H-1,2-benzoxazine-3(4H)-carboxamide, N-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-3-yl)-4a,5,8,8a-tetrahydro-4a,8-dihydroxy-, (4aR,5R,8R,8aS)- [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: 1.746
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: 2.88
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.95
ACD/KOC (pH 5.5): 357.98
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.89
ACD/KOC (pH 7.4): 357.15
Polar Surface Area: 186 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 90.6±5.0 dyne/cm
Molar Volume: 287.3±5.0 cm3

Click to predict properties on the Chemicalize site


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