ChemSpider 2D Image | (3R,8S)-6-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-23-fluoro-14-methoxy-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.1~11,15~.0~3,8~]hexacosa-1(25),11(26),12,14,21,23-hexaene-10,18-dione | C29H31FN4O7

(3R,8S)-6-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-23-fluoro-14-methoxy-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(25),11(26),12,14,21,23-hexaene-10,18-dione

  • Molecular FormulaC29H31FN4O7
  • Average mass566.577 Da
  • Monoisotopic mass566.217651 Da
  • ChemSpider ID114997682

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,8S)-6-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-23-fluor-14-methoxy-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(25),11(26),12,14,21,23-hexaen-10,18-dion [German] [ACD/IUPAC Name]
(3R,8S)-6-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-23-fluoro-14-methoxy-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(25),11(26),12,14,21,23-hexaene-10,18-dione [ACD/IUPAC Name]
(3R,8S)-6-[(2-Éthyl-4-méthyl-1,3-oxazol-5-yl)carbonyl]-23-fluoro-14-méthoxy-2,16-dioxa-6,9,19-triazatétracyclo[19.3.1.111,15.03,8]hexacosa-1(25),11(26),12,14,21,23-hexaène-10,18-dione [French] [ACD/IUPAC Name]
2,6:12,16-Dimetheno-6H,16H-pyrido[4,3-b][1,11,4,14]dioxadiazacycloeicosine-9,17(10H,18H)-dione, 20-[(2-ethyl-4-methyl-5-oxazolyl)carbonyl]-4-fluoro-7,8,18a,19,20,21,22,22a-octahydro-13-methoxy-, (18aS ,22aR)- [ACD/Index 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: 874.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 482.7±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.71
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.24
ACD/KOC (pH 5.5): 61.93
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 61.95
Polar Surface Area: 132 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 448.5±3.0 cm3

Click to predict properties on the Chemicalize site


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