ChemSpider 2D Image | N-[(1R)-2-Hydroxy-1-phenylethyl]-3-(methoxymethyl)-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide | C33H41N3O7

N-[(1R)-2-Hydroxy-1-phenylethyl]-3-(methoxymethyl)-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID5046101

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

1-Oxa-4-azacyclododec-8-ene-6-carboxamide, N-[(1R)-2-hydroxy-1-phenylethyl]-3-(methoxymethyl)-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl- [ACD/Index Name]
N-[(1R)-2-Hydroxy-1-phenylethyl]-3-(methoxymethyl)-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-en-6-carboxamid [German] [ACD/IUPAC Name]
N-[(1R)-2-Hydroxy-1-phenylethyl]-3-(methoxymethyl)-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide [ACD/IUPAC Name]
N-[(1R)-2-Hydroxy-1-phényléthyl]-3-(méthoxyméthyl)-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)éthyl]-2-phényl-1-oxa-4-azacyclododéc-8-ène-6-carboxamide [French] [ACD/IUPAC Name]
CDH2_000109

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

CBiol_001517 [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: 908.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 503.2±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.01
ACD/KOC (pH 5.5): 180.98
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.50
ACD/KOC (pH 7.4): 171.69
Polar Surface Area: 134 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 496.9±3.0 cm3

Click to predict properties on the Chemicalize site


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