ChemSpider 2D Image | 11-(1,3-Benzoxazol-2-ylmethyl)-N-[(2R)-1-hydroxy-3-phenyl-2-propanyl]-3-(methoxymethyl)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide | C36H39N3O7

11-(1,3-Benzoxazol-2-ylmethyl)-N-[(2R)-1-hydroxy-3-phenyl-2-propanyl]-3-(methoxymethyl)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide

  • Molecular FormulaC36H39N3O7
  • Average mass625.711 Da
  • Monoisotopic mass625.278809 Da
  • ChemSpider ID5046083

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

11-(1,3-Benzoxazol-2-ylmethyl)-N-[(2R)-1-hydroxy-3-phenyl-2-propanyl]-3-(methoxymethyl)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-carboxamid [German] [ACD/IUPAC Name]
11-(1,3-Benzoxazol-2-ylmethyl)-N-[(2R)-1-hydroxy-3-phenyl-2-propanyl]-3-(methoxymethyl)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide [ACD/IUPAC Name]
11-(1,3-Benzoxazol-2-ylméthyl)-N-[(2R)-1-hydroxy-3-phényl-2-propanyl]-3-(méthoxyméthyl)-5,12-dioxo-2-phényl-1-oxa-4-azacyclododéc-8-ène-6-carboxamide [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclododec-8-ene-6-carboxamide, 11-(2-benzoxazolylmethyl)-N-[(1R)-2-hydroxy-1-(phenylmethyl)ethyl]-3-(methoxymethyl)-5,12-dioxo-2-phenyl- [ACD/Index Name]
CDH2_000085

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

CBiol_001493 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 913.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.2±3.0 kJ/mol
Flash Point: 506.5±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 171.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.48
ACD/KOC (pH 5.5): 1405.84
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.47
ACD/KOC (pH 7.4): 1341.69
Polar Surface Area: 140 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 514.5±3.0 cm3

Click to predict properties on the Chemicalize site


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