Found 1 result

Search term: CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | LEPTOMYCIN | C33H48O6

LEPTOMYCIN

  • Molecular FormulaC33H48O6
  • Average mass540.731 Da
  • Monoisotopic mass540.345093 Da
  • ChemSpider ID5293127

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaensäure [German] [ACD/IUPAC Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-[(2S,3S)-3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-, (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)- [ACD/Index Name]
87081-35-4 [RN]
Acide (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-éthyl-6-hydroxy-3,5,7,9,11,15-hexaméthyl-19-[(2S,3S)-3-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadécapentaénoïque [French] [ACD/IUPAC Name]
LEPTOMYCIN
Leptomycin B
MFCD06795848
Y031I2N1EO
(2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxo-nonadeca-2,10,12,16,18-pentaenoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7958583 [DBID]
7958583; 8299374 [DBID]
8299374 [DBID]
AIDS058214 [DBID]
AIDS-058214 [DBID]
CI 940 [DBID]
CI-940 [DBID]
L2913_SIGMA [DBID]
NChemBio.2007.18-comp7 [DBID]
NSC-364372 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A leptomycin having a (2<stereo>E</stereo>,10<stereo>E</stereo>,12<stereo>E</stereo>,16<stereo>Z</stereo>,18<stereo>E</stereo>)-double bond configuration as well as an ethyl substituent at position 17 . ChEBI CHEBI:52646
      A leptomycin having a (2E,10E,12E,16Z,18E)-double bond configuration as well as an ethyl substituent at position 17. ChEBI CHEBI:52646
      A leptomycin having a (2E,10E,12E,16Z,18E)-double bond configuration as well as an ethyl substituent at position 17; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:52646

    • Bio Activity:

      Antibiotic. Binds and inhibits the CRM1 protein to inhibit nuclear export of proteins. Shown to inhibit the nuclear export of the HIV regulatory protein Rev. <p>Also shows antifungal activity.</p> Hello Bio HB4219
      Antibiotic. Inhibits nuclear export of protiens. Hello Bio HB4219
      Antibiotics Hello Bio HB4219

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

Density: 1.1±0.1 g/cm3
Boiling Point: 725.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 224.8±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2803.69
ACD/KOC (pH 5.5): 7055.18
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 50.01
ACD/KOC (pH 7.4): 125.86
Polar Surface Area: 101 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 504.3±3.0 cm3

Click to predict properties on the Chemicalize site


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