ChemSpider 2D Image | 1,5-Dideoxy-2-C-[hydroxy(~13~C)methyl]-5-[(3S,3aR,4R,6S,7aR,10R,10aR,10bS)-4-hydroxy-3,6,7a,10-tetrakis[(~13~C)methyl](~13~C_15_)-1,2,3,4,5,6,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacen-10-yl ]-D-(~13~C_5_)arabinitol | 13C25H42O5

1,5-Dideoxy-2-C-[hydroxy(13C)methyl]-5-[(3S,3aR,4R,6S,7aR,10R,10aR,10bS)-4-hydroxy-3,6,7a,10-tetrakis[(13C)methyl](13C15)-1,2,3,4,5,6,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacen-10-yl ]-D-(13C5)arabinitol

  • Molecular Formula13C25H42O5
  • Average mass447.414 Da
  • Monoisotopic mass447.387085 Da
  • ChemSpider ID13181170

  • defined stereocentres - 11 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1,5-Dideoxy-2-C-[hydroxy(13C)methyl]-5-[(3S,3aR,4R,6S,7aR,10R,10aR,10bS)-4-hydroxy-3,6,7a,10-tetrakis[(13C)methyl](13C15)-1,2,3,4,5,6,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacen-10-yl ; ]-D-(13C5)arabinitol [ACD/IUPAC Name]
D-Arabinitol-13C5, 1,5-dideoxy-5-[(3S,3aR,4R,6S,7aR,10R,10aR,10bS)-1,2,3,4,5,6,7a,8,9,10,10a,10b-dodecahydro-4-hydroxy-3,6,7a,10-tetra(methyl-13C)cyclopent[d]-s-indacen-10-yl-1,2,3,3a,4,5,6,6a,7
 ,7a,8,9,10,10a,10b-13C15]-2-C-(hydroxymethyl-13C)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 349.1±5.0 cm3

Click to predict properties on the Chemicalize site


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