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Search term: 27022859 (Found by CSID)
ChemSpider 2D Image | deoxyapoaranotin | C20H16N2O5S2

deoxyapoaranotin

  • Molecular FormulaC20H16N2O5S2
  • Average mass428.481 Da
  • Monoisotopic mass428.050049 Da
  • ChemSpider ID27022859

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4S,5S,12R)-2,13-Dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,15,17,19-pentaen-5-yl acetate [ACD/IUPAC Name]
(1R,4S,5S,12R)-2,13-Dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,15,17,19-pentaen-5-yl-acetat [German] [ACD/IUPAC Name]
8H,15H-7a,14a-Epidithio-7H,14H-oxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indole-7,14-dione, 5-(acetyloxy)-5,5a-dihydro-, (5S,5aS,7aR,14aR)- [ACD/Index Name]
Acétate de (1R,4S,5S,12R)-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,15,17,19-pentaén-5-yle [French] [ACD/IUPAC Name]
deoxyapoaranotin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 745.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.9±32.9 °C
Index of Refraction: 1.788
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.18
ACD/KOC (pH 5.5): 582.11
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.18
ACD/KOC (pH 7.4): 582.12
Polar Surface Area: 127 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 256.7±5.0 cm3

Click to predict properties on the Chemicalize site


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