ChemSpider 2D Image | Zizyphine A | C33H49N5O6

Zizyphine A

  • Molecular FormulaC33H49N5O6
  • Average mass611.772 Da
  • Monoisotopic mass611.368286 Da
  • ChemSpider ID4884461
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3S,7S,13S,16Z)-6-(N,N-Dimethyl-L-isoleucyl-L-isoleucyl)-19-methoxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(20),16,18,21-tetraen [German] [ACD/IUPAC Name]
(3S,7S,13S,16Z)-6-(N,N-Dimethyl-L-isoleucyl-L-isoleucyl)-19-methoxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(20),16,18,21-tetraene [ACD/IUPAC Name]
(3S,7S,13S,16Z)-6-(N,N-Diméthyl-L-isoleucyl-L-isoleucyl)-19-méthoxy-8,14-dioxo-2-oxa-6,9,15-triazatétracyclo[16.2.2.03,7.09,13]docosa-1(20),16,18,21-tétraène [French] [ACD/IUPAC Name]
Pentanamide, N-[(1S,2S)-1-[[(3aS,9Z,12aS,17aS)-3,3a,11,12,12a,13,14,15,17,17a-decahydro-18-methoxy-12,17-dioxo-5,8-ethenodipyrrolo[3,2-b:1',2'-e][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]-2-met hylbutyl]-2-(dimethylamino)-3-methyl-, (2S,3S)- [ACD/Index Name]
Zizyphine A
51059-42-8 [RN]

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

C10015 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 844.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 464.7±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 168.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 24.99
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 88.29
ACD/KOC (pH 7.4): 749.32
Polar Surface Area: 121 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 502.4±5.0 cm3

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