ChemSpider 2D Image | (9S)-3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-ylacetyl)-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione | C26H37N3O6

(9S)-3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-ylacetyl)-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione

  • Molecular FormulaC26H37N3O6
  • Average mass487.589 Da
  • Monoisotopic mass487.268250 Da
  • ChemSpider ID80819715

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-ylacetyl)-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecan-7,10-dion [German] [ACD/IUPAC Name]
(9S)-3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-ylacetyl)-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione [ACD/IUPAC Name]
(9S)-3-[2-(3,4-Dihydro-2H-1,5-benzodioxépin-7-yl)acétyl]-9-méthyl-14-oxa-3,8,11-triazaspiro[5.12]octadécane-7,10-dione [French] [ACD/IUPAC Name]
14-Oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione, 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-9-methyl-, (9S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.7±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.56
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 86.56
Polar Surface Area: 106 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 390.1±5.0 cm3

Click to predict properties on the Chemicalize site


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