ChemSpider 2D Image | (7R,10R,11R,12Z,17Z,19Z,21S,23R)-23-Fluoro-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14-trione | C28H38FN3O6

(7R,10R,11R,12Z,17Z,19Z,21S,23R)-23-Fluoro-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14-trione

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID8090642

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7R,10R,11R,12Z,17Z,19Z,21S,23R)-23-Fluor-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaen-2,8,14-trion [German] [ACD/IUPAC Name]
(7R,10R,11R,12Z,17Z,19Z,21S,23R)-23-Fluoro-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14-trione [ACD/IUPAC Name]
(7R,10R,11R,12Z,17Z,19Z,21S,23R)-23-Fluoro-21-hydroxy-10-isopropyl-11,19-diméthyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaène-2,8,14-trione [French] [ACD/IUPAC Name]
318498-76-9 [RN]
3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22(4H)-trione, 16-fluoro-8,9,14,15,16,17,24,25,26,26a-decahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14S,16R,26aR)-
7H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 16-fluoro-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5Z, 10Z,12Z,14S,16R,26aR)- [ACD/Index Name]
FLOPRISTIN
UNII:OZV2QPB39M

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

Density: 1.2±0.1 g/cm3
Boiling Point: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.5±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.45
ACD/KOC (pH 5.5): 132.13
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.45
ACD/KOC (pH 7.4): 132.13
Polar Surface Area: 122 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 430.4±5.0 cm3

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