Found 17 results

Search term: MF = 'C_{36}H_{53}N_{3}O_{10}'
ChemSpider 2D Image | Benzyl (6S,9S)-6,9-bis[3-(cyclohexyloxy)-3-oxopropyl]-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate | C36H53N3O10

Benzyl (6S,9S)-6,9-bis[3-(cyclohexyloxy)-3-oxopropyl]-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate

  • Molecular FormulaC36H53N3O10
  • Average mass687.820 Da
  • Monoisotopic mass687.373108 Da
  • ChemSpider ID8525109

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,9S)-6,9-Bis[3-(cyclohexyloxy)-3-oxopropyl]-2,2-diméthyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridécan-13-oate de benzyle [French] [ACD/IUPAC Name]
Benzyl (6S,9S)-6,9-bis[3-(cyclohexyloxy)-3-oxopropyl]-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate [ACD/IUPAC Name]
Benzyl-(6S,9S)-6,9-bis[3-(cyclohexyloxy)-3-oxopropyl]-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 856.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 471.8±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 180.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15313.60
ACD/KOC (pH 5.5): 34456.04
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15306.60
ACD/KOC (pH 7.4): 34440.30
Polar Surface Area: 175 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 569.4±5.0 cm3

Click to predict properties on the Chemicalize site


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