ChemSpider 2D Image | (1R,14R,19R,20R)-20-Amino-11,18-dioxo-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(12),3,7,10(22),16-pentaene | C18H15N4O2S

(1R,14R,19R,20R)-20-Amino-11,18-dioxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7,10(22),16-pentaene

  • Molecular FormulaC18H15N4O2S
  • Average mass351.402 Da
  • Monoisotopic mass351.091034 Da
  • ChemSpider ID57641942

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,14R,19R,20R)-20-Amino-11,18-dioxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7,10(22),16-pentaen [German] [ACD/IUPAC Name]
(1R,14R,19R,20R)-20-Amino-11,18-dioxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7,10(22),16-pentaene [ACD/IUPAC Name]
(1R,14R,19R,20R)-20-Amino-11,18-dioxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7,10(22),16-pentaène [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, 14-amino-1,4,5,6,7,8,11,12-octahydro-5,11-dioxo-, (7R,8aR,12R,14R)- [ACD/Index Name]
1-Amino discorhabdin D
721395-40-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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