ChemSpider 2D Image | (7S,8S,11S)-11-(Hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.0~1,9~.0~3,8~]tetradeca-3,5-dien-7-yl acetate | C15H16N2O5S

(7S,8S,11S)-11-(Hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.01,9.03,8]tetradeca-3,5-dien-7-yl acetate

  • Molecular FormulaC15H16N2O5S
  • Average mass336.363 Da
  • Monoisotopic mass336.078003 Da
  • ChemSpider ID40256521

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(7S,8S,11S)-11-(Hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.01,9.03,8]tetradeca-3,5-dien-7-yl acetate [ACD/IUPAC Name]
(7S,8S,11S)-11-(Hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.01,9.03,8]tetradeca-3,5-dien-7-yl-acetat [German] [ACD/IUPAC Name]
10H-3,10a-Epithiopyrazino[1,2-a]indole-1,4-dione, 6-(acetyloxy)-2,3,5a,6-tetrahydro-3-(hydroxymethyl)-2-methyl-, (3S,5aS,6S)- [ACD/Index Name]
Acétate de (7S,8S,11S)-11-(hydroxyméthyl)-12-méthyl-10,13-dioxo-14-thia-9,12-diazatétracyclo[9.2.1.01,9.03,8]tétradéca-3,5-dién-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.0±6.0 kJ/mol
Flash Point: 335.6±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 37.06
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 37.06
Polar Surface Area: 112 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

Click to predict properties on the Chemicalize site


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