Found 28 results

Search term: MF = 'C_{41}H_{44}N_{2}O_{6}'
ChemSpider 2D Image | 2-[(2S,6R,11R)-11-Benzyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-{(2S)-1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}acetamide | C41H44N2O6

2-[(2S,6R,11R)-11-Benzyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-{(2S)-1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}acetamide

  • Molecular FormulaC41H44N2O6
  • Average mass660.798 Da
  • Monoisotopic mass660.319946 Da
  • ChemSpider ID5040712

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Oxa-4-azacyclododec-8-ene-6-acetamide, N-[(1S)-2-hydroxy-1-[[4-(phenylmethoxy)phenyl]methyl]ethyl]-5,12-dioxo-2-phenyl-11-(phenylmethyl)-, (2S,6R,11R)- [ACD/Index Name]
2-[(2S,6R,11R)-11-Benzyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-{(2S)-1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}acetamid [German] [ACD/IUPAC Name]
2-[(2S,6R,11R)-11-Benzyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-{(2S)-1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}acetamide [ACD/IUPAC Name]
2-[(2S,6R,11R)-11-Benzyl-5,12-dioxo-2-phényl-1-oxa-4-azacyclododéc-8-én-6-yl]-N-{(2S)-1-[4-(benzyloxy)phényl]-3-hydroxy-2-propanyl}acétamide [French] [ACD/IUPAC Name]
AML1_003150

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

Density: 1.2±0.1 g/cm3
Boiling Point: 940.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.4±3.0 kJ/mol
Flash Point: 522.8±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 188.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9305.19
ACD/KOC (pH 5.5): 24121.47
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9305.20
ACD/KOC (pH 7.4): 24121.47
Polar Surface Area: 114 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 565.0±3.0 cm3

Click to predict properties on the Chemicalize site


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