ChemSpider 2D Image | (2S,9S,13R)-2,9,13-Trimethyl-1-oxa-4,7,10-triazacyclotridecane-5,8,11-trione | C12H21N3O4

(2S,9S,13R)-2,9,13-Trimethyl-1-oxa-4,7,10-triazacyclotridecane-5,8,11-trione

  • Molecular FormulaC12H21N3O4
  • Average mass271.313 Da
  • Monoisotopic mass271.153198 Da
  • ChemSpider ID30658482

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,9S,13R)-2,9,13-Trimethyl-1-oxa-4,7,10-triazacyclotridecan-5,8,11-trion [German] [ACD/IUPAC Name]
(2S,9S,13R)-2,9,13-Trimethyl-1-oxa-4,7,10-triazacyclotridecane-5,8,11-trione [ACD/IUPAC Name]
(2S,9S,13R)-2,9,13-Triméthyl-1-oxa-4,7,10-triazacyclotridécane-5,8,11-trione [French] [ACD/IUPAC Name]
1-Oxa-4,7,10-triazacyclotridecane-5,8,11-trione, 2,9,13-trimethyl-, (2S,9S,13R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 641.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±31.5 °C
Index of Refraction: 1.435
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.66
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.34
Polar Surface Area: 97 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 259.2±3.0 cm3

Click to predict properties on the Chemicalize site


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