ChemSpider 2D Image | Dalfopristin | C34H50N4O9S

Dalfopristin

  • Molecular FormulaC34H50N4O9S
  • Average mass690.847 Da
  • Monoisotopic mass690.329834 Da
  • ChemSpider ID16736919

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(26R,27S)-26-((2-(Diethylamino)ethyl)sulfonyl)-26,27-dihydrovirginiamycin M1
(3R,4R,5E,10E,12E,14S,26R,26aS)-26-{[2-(diethylamino)ethyl]sulfonyl}-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
(6R,7S,10R,11R,12E,17E,19E,21S)-6-{[2-(Diethylamino)ethyl]sulfonyl}-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 ,23-tetron [German] [ACD/IUPAC Name]
(6R,7S,10R,11R,12E,17E,19E,21S)-6-{[2-(Diethylamino)ethyl]sulfonyl}-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-2,8,1 4,23-tetrone [ACD/IUPAC Name]
(6R,7S,10R,11R,12E,17E,19E,21S)-6-{[2-(Diéthylamino)éthyl]sulfonyl}-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-2,8,1 4,23-tétrone [French] [ACD/IUPAC Name]
(6R,7S,10R,11R,12E,17E,19E,21S)-6-{[2-(Diethylamino)ethyl]sulfonyl}-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-2,8,14,23-tetrone
(6R,7S,10R,11R,12E,17E,19E,21S)-6-{[2-(Diethylamino)ethyl]sulfonyl}-21-hydroxy-11,19-dimethyl-10-(1-methylethyl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaen-2,8,14,23-tetron
(6R,7S,10R,11R,12E,17E,19E,21S)-6-{[2-(diethylamino)ethyl]sulfonyl}-21-hydroxy-11,19-dimethyl-10-(1-methylethyl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone
(6R,7S,10R,11R,12E,17E,19E,21S)-6-{[2-(diéthylamino)éthyl]sulfonyl}-21-hydroxy-11,19-diméthyl-10-(1-méthyléthyl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaène-2,8,14,23-tétrone [French]
112362-50-2 [RN]
More...

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

6581 [DBID]
RP 54476 [DBID]
FEMA No. 2364 [DBID]
  • Miscellaneous

    • Chemical Class:

      A macrolide that is pristinamycin IIA in which the double bond between positions 26 and 26a of the pyrroline ring has been reduced and position 26R carries a [2-(diethylamino)ethyl]sulfonyl group. It is a semi-synthetic streptogramin antibiotic and often used as a mixture with quinupristin for the treatment of vancomycin-resistant Enterococcus faecium. ChEBI CHEBI:4309

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

Density: 1.3±0.1 g/cm3
Boiling Point: 940.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.4±3.0 kJ/mol
Flash Point: 522.6±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 179.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 543.5±5.0 cm3

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