Found 2 results

Search term: MF = 'C_{59}H_{99}NaO_{23}S'
ChemSpider 2D Image | Sodium (4E,11S,13S,14R,15S,17S,20E,22R,23S)-23-{(2R,3R,4R,6R)-6-[(1R,5R)-6-{(2S,4R,5S,6R)-6-[(1R,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadecapentaen-1-yl]-4,5-dihydroxytetrahydro-2H-pyran-2-yl} -1,5,6-trihydroxy-4-methylenehexyl]-3,4-dihydroxytetrahydro-2H-pyran-2-yl}-1,10,11,14,15,17,22,23-octahydroxy-8,13,20-trimethyl-4,20-tricosadien-2-yl sulfate | C59H99NaO23S

Sodium (4E,11S,13S,14R,15S,17S,20E,22R,23S)-23-{(2R,3R,4R,6R)-6-[(1R,5R)-6-{(2S,4R,5S,6R)-6-[(1R,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadecapentaen-1-yl]-4,5-dihydroxytetrahydro-2H-pyran-2-yl} -1,5,6-trihydroxy-4-methylenehexyl]-3,4-dihydroxytetrahydro-2H-pyran-2-yl}-1,10,11,14,15,17,22,23-octahydroxy-8,13,20-trimethyl-4,20-tricosadien-2-yl sulfate

  • Molecular FormulaC59H99NaO23S
  • Average mass1231.458 Da
  • Monoisotopic mass1230.619507 Da
  • ChemSpider ID28282973

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 23 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D-lyxo-L-ido-D-altro-L-allo-Octacos-9-enitol, 13,17:24,28-dianhydro-1,2,5,7,8,9,10,16,19,20,21,25-dodecadeoxy-28-C-[(1R,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadecapentaen-1-yl]-9-methyl-21-met ;hylene-2-[(2S,8E)-2,3,12-trihydroxy-5-methyl-11-(sulfooxy)-8-dodecen-1-yl]-, sodium salt, (9E,23ξ,28R)- (1:1) [ACD/Index Name]
Natrium-(4E,11S,13S,14R,15S,17S,20E,22R,23S)-23-{(2R,3R,4R,6R)-6-[(1R,5R)-6-{(2S,4R,5S,6R)-6-[(1R,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadecapentaen-1-yl]-4,5-dihydroxytetrahydro-2H-pyran-2-yl }-1,5,6-trihydroxy-4-methylenhexyl]-3,4-dihydroxytetrahydro-2H-pyran-2-yl}-1,10,11,14,15,17,22,23-octahydroxy-8,13,20-trimethyl-4,20-tricosadien-2-ylsulfat [German] [ACD/IUPAC Name]
Sodium (4E,11S,13S,14R,15S,17S,20E,22R,23S)-23-{(2R,3R,4R,6R)-6-[(1R,5R)-6-{(2S,4R,5S,6R)-6-[(1R,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadecapentaen-1-yl]-4,5-dihydroxytetrahydro-2H-pyran-2-yl} -1,5,6-trihydroxy-4-methylenehexyl]-3,4-dihydroxytetrahydro-2H-pyran-2-yl}-1,10,11,14,15,17,22,23-octahydroxy-8,13,20-trimethyl-4,20-tricosadien-2-yl sulfate [ACD/IUPAC Name]
Sulfate de sodium et de (4E,11S,13S,14R,15S,17S,20E,22R,23S)-23-{(2R,3R,4R,6R)-6-[(1R,5R)-6-{(2S,4R,5S,6R)-6-[(1R,2R,3E,7E,9E,11E)-1,2-dihydroxy-3,7,9,11,15-hexadécapentaén-1-yl]-4,5-dihydroxytétrahyd ro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-méthylènehexyl]-3,4-dihydroxytétrahydro-2H-pyran-2-yl}-1,10,11,14,15,17,22,23-octahydroxy-8,13,20-triméthyl-4,20-tricosadién-2-yle [French] [ACD/IUPAC Name]
amphidinol 7

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 23
#H bond donors: 17
#Freely Rotating Bonds: 60
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 423 Å2
Polarizability:
Surface Tension:
Molar Volume:

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