ChemSpider 2D Image | (1R,7S,8S,11R)-11-(Hydroxymethyl)-17-methyl-10,16-dioxo-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.0~1,9~.0~3,8~]heptadeca-3,5-dien-7-yl acetate | C15H16N2O5S4

(1R,7S,8S,11R)-11-(Hydroxymethyl)-17-methyl-10,16-dioxo-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-dien-7-yl acetate

  • Molecular FormulaC15H16N2O5S4
  • Average mass432.558 Da
  • Monoisotopic mass431.994202 Da
  • ChemSpider ID35516890

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,7S,8S,11R)-11-(Hydroxymethyl)-17-methyl-10,16-dioxo-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-dien-7-yl acetate [ACD/IUPAC Name]
(1R,7S,8S,11R)-11-(Hydroxymethyl)-17-methyl-10,16-dioxo-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-dien-7-yl-acetat [German] [ACD/IUPAC Name]
12H-5,12a-(Iminomethano)[1,2,3,4,6]tetrathiazocino[6,5-a]indole-6,13(5H)-dione, 8-(acetyloxy)-7a,8-dihydro-5-(hydroxymethyl)-14-methyl-, (5R,7aS,8S,12aR)- [ACD/Index Name]
Acétate de (1R,7S,8S,11R)-11-(hydroxyméthyl)-17-méthyl-10,16-dioxo-12,13,14,15-tétrathia-9,17-diazatétracyclo[9.4.2.01,9.03,8]heptadéca-3,5-dién-7-yle [French] [ACD/IUPAC Name]
Acetylgliotoxin G

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

Density: 1.7±0.1 g/cm3
Boiling Point: 735.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 398.5±35.7 °C
Index of Refraction: 1.785
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.97
ACD/KOC (pH 5.5): 229.77
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.97
ACD/KOC (pH 7.4): 229.77
Polar Surface Area: 188 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 95.3±5.0 dyne/cm
Molar Volume: 252.2±5.0 cm3

Click to predict properties on the Chemicalize site


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