ChemSpider 2D Image | (6E)-10-[6-(12-{5-[9-(1-{(4E)-10-[6-(4-{6-[(3Z,5E,12Z)-21-{6-[(1Z)-5-(7-{2-[5-(Aminomethyl)-3-hydroxytetrahydro-2-furanyl]ethyl}-2,6-dioxabicyclo[3.2.1]oct-3-yl)-3,4-dihydroxy-1-penten-1-yl]-3,4,5-tri hydroxytetrahydro-2H-pyran-2-yl}-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylene-3,5,12-henicosatrien-1-yl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}-2,3-dihydroxybutyl)-4,5-dihydroxytetrahydro- 2H-pyran-2-yl]-2,6,9,10-tetrahydroxy-3-methy | C129H221N3O53

(6E)-10-[6-(12-{5-[9-(1-{(4E)-10-[6-(4-{6-[(3Z,5E,12Z)-21-{6-[(1Z)-5-(7-{2-[5-(Aminomethyl)-3-hydroxytetrahydro-2-furanyl]ethyl}-2,6-dioxabicyclo[3.2.1]oct-3-yl)-3,4-dihydroxy-1-penten-1-yl]-3,4,5-tri hydroxytetrahydro-2H-pyran-2-yl}-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylene-3,5,12-henicosatrien-1-yl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}-2,3-dihydroxybutyl)-4,5-dihydroxytetrahydro- 2H-pyran-2-yl]-2,6,9,10-tetrahydroxy-3-methy

  • Molecular FormulaC129H221N3O53
  • Average mass2662.123 Da
  • Monoisotopic mass2660.468994 Da
  • ChemSpider ID10470357

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-10-[6-(12-{5-[9-(1-{(4E)-10-[6-(4-{6-[(3Z,5E,12Z)-21-{6-[(1Z)-5-(7-{2-[5-(Aminomethyl)-3-hydroxytetrahydro-2-furanyl]ethyl}-2,6-dioxabicyclo[3.2.1]oct-3-yl)-3,4-dihydroxy-1-penten-1-yl]-3,4,5-tri hydroxytetrahydro-2H-pyran-2-yl}-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylen-3,5,12-henicosatrien-1-yl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}-2,3-dihydroxybutyl)-4,5-dihydroxytetrahydro-2 H-pyran-2-yl]-2,6,9,10-tetrahydroxy-3-methyl [German] [ACD/IUPAC Name]
(6E)-10-[6-(12-{5-[9-(1-{(4E)-10-[6-(4-{6-[(3Z,5E,12Z)-21-{6-[(1Z)-5-(7-{2-[5-(Aminomethyl)-3-hydroxytetrahydro-2-furanyl]ethyl}-2,6-dioxabicyclo[3.2.1]oct-3-yl)-3,4-dihydroxy-1-penten-1-yl]-3,4,5-tri hydroxytetrahydro-2H-pyran-2-yl}-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylene-3,5,12-henicosatrien-1-yl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}-2,3-dihydroxybutyl)-4,5-dihydroxytetrahydro- 2H-pyran-2-yl]-2,6,9,10-tetrahydroxy-3-methy [ACD/IUPAC Name]
(6E)-10-[6-(12-{5-[9-(1-{(4E)-10-[6-(4-{6-[(3Z,5E,12Z)-21-{6-[(1Z)-5-(7-{2-[5-(Aminométhyl)-3-hydroxytétrahydro-2-furanyl]éthyl}-2,6-dioxabicyclo[3.2.1]oct-3-yl)-3,4-dihydroxy-1-pentén-1-yl]-3,4,5-tri hydroxytétrahydro-2H-pyran-2-yl}-2,8,9,10,17,18,19-heptahydroxy-20-méthyl-14-méthylène-3,5,12-hénicosatrién-1-yl]-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl}-2,3-dihydroxybutyl)-4,5-dihydroxytétrahydro- 2H-pyran-2-yl]-2,6,9,10-tétrahydroxy-3-méthy [French] [ACD/IUPAC Name]
palytoxin

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 668.3±0.3 cm3
#H bond acceptors: 56
#H bond donors: 44
#Freely Rotating Bonds: 80
#Rule of 5 Violations: 3
ACD/LogP: -14.41
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: 995 Å2
Polarizability: 264.9±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 1937.1±3.0 cm3

Click to predict properties on the Chemicalize site


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