ChemSpider 2D Image | N-[(2S)-1-{(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradecan-5-yl}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]acetamide | C21H36N4O8

N-[(2S)-1-{(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradecan-5-yl}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]acetamide

  • Molecular FormulaC21H36N4O8
  • Average mass472.533 Da
  • Monoisotopic mass472.253326 Da
  • ChemSpider ID80829422

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acetamide, N-[(1S)-2-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-[(2S)-1-{(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradecan-5-yl}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradecan-5-yl}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]acetamide [ACD/IUPAC Name]
N-[(2S)-1-{(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyéthyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotétradécan-5-yl}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 896.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 495.8±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -3.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 177 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 365.4±3.0 cm3

Click to predict properties on the Chemicalize site


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