ChemSpider 2D Image | (6R,10R,11R,12Z,17Z,19Z,21S)-6-{[2-(Diethylamino)ethyl]sulfonyl}-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-2,8,14,2
3-tetrone | C34H50N4O9S

(6R,10R,11R,12Z,17Z,19Z,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-2,8,14,2 3-tetrone

  • Molecular FormulaC34H50N4O9S
  • Average mass690.847 Da
  • Monoisotopic mass690.329834 Da
  • ChemSpider ID4940480
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(6R,10R,11R,12Z,17Z,19Z,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,10R,11R,12Z,17Z,19Z,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-2,8,14,2 
3-tetrone [ACD/IUPAC Name]
(6R,10R,11R,12Z,17Z,19Z,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-2,8,14,2 
3-tétrone [French] [ACD/IUPAC Name]
3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 26-[[2-(diethylamino)ethyl]sulfonyl]-8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-4,12-dimethyl-3-( 1-methylethyl)-, (3R,4R,5Z,10Z,12Z,14S,26R)- [ACD/Index Name]
(3R,4R,5E,10E,12E,14S,26R,26aS)-26-((2-(Diethylamino)ethyl)sulfonyl)-8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-3-isopropyl-4,12-dimethyl-3H-21,18-nitrilo-1H,22H-pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
(6R,10R,11R,12Z,17Z,19Z,21S)-6-[2-(diethylamino)ethanesulfonyl]-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,
(6R,10R,11R,21S)-6-[2-(diethylamino)ethanesulfonyl]-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,10R,11R,21S)-6-{[2-(diethylamino)ethane]sulfonyl}-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-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
14,23-tetrone
Dalfopristina
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08033 [DBID]
D00853 [DBID]
RP 54476 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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