ChemSpider 2D Image | Sodium (1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yl hydrogen phosphate | C19H26NaO9P

Sodium (1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yl hydrogen phosphate

  • Molecular FormulaC19H26NaO9P
  • Average mass452.368 Da
  • Monoisotopic mass452.121216 Da
  • ChemSpider ID25069810

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Pyran-2-one, 5,6-dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraen-1-yl]-, sodium salt, (6R)- (1:1) [ACD/Index Name]
Hydrogénophosphate de sodium et de (1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-méthyl-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridécatétraén-4-yle [French] [ACD/IUPAC Name]
Natrium-(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-ylhydrogenphosphat [German] [ACD/IUPAC Name]
Sodium (1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yl hydrogen phosphate [ACD/IUPAC Name]
(6R)-5,6-Dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-2H-pyran-2-one sodium salt
Fostriecin sodium salt
sodium (1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)trideca-1,7,9,11-tetraen-4-yl hydrogenphosphate

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: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#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: 153 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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