ChemSpider 2D Image | 11-(Hydroxymethyl)-15-methyl-6-nitro-12,13-dithia-9,15-diazatetracyclo[9.2.2.0~1,9~.0~3,8~]pentadeca-3,5,7-triene-10,14-dione | C13H11N3O5S2

11-(Hydroxymethyl)-15-methyl-6-nitro-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5,7-triene-10,14-dione

  • Molecular FormulaC13H11N3O5S2
  • Average mass353.374 Da
  • Monoisotopic mass353.014008 Da
  • ChemSpider ID24616879

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

10H-3,10a-(Iminomethano)[1,2,4]dithiazino[4,3-a]indole-4,11(3H)-dione, 3-(hydroxymethyl)-12-methyl-7-nitro- [ACD/Index Name]
11-(Hydroxymethyl)-15-methyl-6-nitro-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5,7-trien-10,14-dion [German] [ACD/IUPAC Name]
11-(Hydroxymethyl)-15-methyl-6-nitro-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5,7-triene-10,14-dione [ACD/IUPAC Name]
11-(Hydroxyméthyl)-15-méthyl-6-nitro-12,13-dithia-9,15-diazatétracyclo[9.2.2.01,9.03,8]pentadéca-3,5,7-triène-10,14-dione [French] [ACD/IUPAC Name]
GLIONITRIN A

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

Density: 1.8±0.1 g/cm3
Boiling Point: 711.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 384.0±32.9 °C
Index of Refraction: 1.829
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.33
ACD/KOC (pH 5.5): 279.06
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.33
ACD/KOC (pH 7.4): 279.06
Polar Surface Area: 157 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 112.6±5.0 dyne/cm
Molar Volume: 192.9±5.0 cm3

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