ChemSpider 2D Image | (9E,19E,21Z)-13-Acetoxy-15,17,32-trihydroxy-30-(4-isobutylpiperazin-4-ium-1-yl)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1~4,7~.0~5,36~.0~26 ,35~.0~28,33~]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-2-olate | C51H64N4O13

(9E,19E,21Z)-13-Acetoxy-15,17,32-trihydroxy-30-(4-isobutylpiperazin-4-ium-1-yl)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026 ,35.028,33]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-2-olate

  • Molecular FormulaC51H64N4O13
  • Average mass941.073 Da
  • Monoisotopic mass940.446960 Da
  • ChemSpider ID21432198

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,19E,21Z)-13-Acetoxy-15,17,32-trihydroxy-30-(4-isobutylpiperazin-4-ium-1-yl)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026 ,35.028,33]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-2-olat [German] [ACD/IUPAC Name]
(9E,19E,21Z)-13-Acetoxy-15,17,32-trihydroxy-30-(4-isobutylpiperazin-4-ium-1-yl)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026 ,35.028,33]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-2-olate [ACD/IUPAC Name]
(9E,19E,21Z)-13-Acétoxy-15,17,32-trihydroxy-30-(4-isobutylpipérazin-4-ium-1-yl)-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026 ,35.028,33]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undécaén-2-olate [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)-6H-benzofuro[4,5-a]phenoxazine-1,6,15(2H)-trione, 25-(acetyloxy)-5,12,21,23-tetrahydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)-1-pip erazinyl]-, (16Z,18E,28E)- [ACD/Index Name]

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

Density:
Boiling Point: 1065.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.5±3.0 kJ/mol
Flash Point: 598.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 27.83
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 6.76
Polar Surface Area: 230 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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