ChemSpider 2D Image | (1R,20R)-11,20-Dihydroxy-18-oxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.1~3,7~.0~1,16~.0~2,12~.0~4,19~.0~10,22~]docosa-2,4(19),7,10(22),11,16-hexaene | C18H14N3O3S

(1R,20R)-11,20-Dihydroxy-18-oxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,4(19),7,10(22),11,16-hexaene

  • Molecular FormulaC18H14N3O3S
  • Average mass352.387 Da
  • Monoisotopic mass352.075043 Da
  • ChemSpider ID34897271

  • Charge - Charge

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,20R)-11,20-Dihydroxy-18-oxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,4(19),7,10(22),11,16-hexaen [German] [ACD/IUPAC Name]
(1R,20R)-11,20-Dihydroxy-18-oxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,4(19),7,10(22),11,16-hexaene [ACD/IUPAC Name]
(1R,20R)-11,20-Dihydroxy-18-oxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,4(19),7,10(22),11,16-hexaène [French] [ACD/IUPAC Name]
2H-7,9-Epithio-8a,12-methanoazocino[4,3,2,1-lmn]pyrrolo[4,3,2-de][1,7]phenanthrolin-13-ium, 1,4,6,7,8,11-hexahydro-5,14-dihydroxy-11-oxo-, (8aR,14R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 114 Å2
Polarizability:
Surface Tension:
Molar Volume:

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