ChemSpider 2D Image | (4S,4aR,5S,5aR,6S,12aS)-4-{Bis[(~13~C)methyl](~15~N)amino}-3,5,6,10,12,12a-hexahydroxy-6-(~13~C)methyl-1,11-dioxo(~13~C_18_)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracene(~13~C,~15~N)carboxamide | 13C22H2415N2O9

(4S,4aR,5S,5aR,6S,12aS)-4-{Bis[(13C)methyl](15N)amino}-3,5,6,10,12,12a-hexahydroxy-6-(13C)methyl-1,11-dioxo(13C18)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracene(13C,15N)carboxamide

  • Molecular Formula13C22H2415N2O9
  • Average mass484.259 Da
  • Monoisotopic mass484.216064 Da
  • ChemSpider ID129260786

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,4aR,5S,5aR,6S,12aS)-4-{Bis[(13C)methyl](15N)amino}-3,5,6,10,12,12a-hexahydroxy-6-(13C)methyl-1,11-dioxo(13C18)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracen(13C,15N)carboxamid [German] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6S,12aS)-4-{Bis[(13C)methyl](15N)amino}-3,5,6,10,12,12a-hexahydroxy-6-(13C)methyl-1,11-dioxo(13C18)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracene(13C,15N)carboxamide [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6S,12aS)-4-{Bis[(13C)méthyl](15N)amino}-3,5,6,10,12,12a-hexahydroxy-6-(13C)méthyl-1,11-dioxo(13C18)-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracène(13C,15N)carboxamide [French] [ACD/IUPAC Name]
2-Naphthacene-1,2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12,12a-13C18-carboxamide-13C-15N, 4-(dimethyl-13C-amino-15N)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-(methyl-13 C)-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 110.6±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: 43.8±0.5 10-24cm3
Surface Tension: 111.3±5.0 dyne/cm
Molar Volume: 268.2±5.0 cm3

Click to predict properties on the Chemicalize site


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