ChemSpider 2D Image | N,N-Diethyl-2-{[21-hydroxy-10-isopropyl-11,19-dimethyl-2,8,14,23-tetraoxo-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),12,17,19,25(28)-pentaen-6-yl]sulfonyl}ethanaminium | C34H51N4O9S

N,N-Diethyl-2-{[21-hydroxy-10-isopropyl-11,19-dimethyl-2,8,14,23-tetraoxo-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaen-6-yl]sulfonyl}ethanaminium

  • Molecular FormulaC34H51N4O9S
  • Average mass691.855 Da
  • Monoisotopic mass691.337097 Da
  • ChemSpider ID21239396

  • Charge - Charge

More details:

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

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)-, conjugate monoacid [ACD/Index Name]
N,N-Diethyl-2-{[21-hydroxy-10-isopropyl-11,19-dimethyl-2,8,14,23-tetraoxo-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaen-6-yl]sulfonyl}ethanaminium [ACD/IUPAC Name]
N,N-Diethyl-2-{[21-hydroxy-10-isopropyl-11,19-dimethyl-2,8,14,23-tetraoxo-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaen-6-yl]sulfonyl}ethanaminium [German] [ACD/IUPAC Name]
N,N-Diéthyl-2-{[21-hydroxy-10-isopropyl-11,19-diméthyl-2,8,14,23-tétraoxo-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaén-6-yl]sulfonyl}éthanaminium [French] [ACD/IUPAC Name]

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

Density:
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:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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