ChemSpider 2D Image | 13C15-Nivalenol | 13C15H20O7

13C15-Nivalenol

  • Molecular Formula13C15H20O7
  • Average mass327.205 Da
  • Monoisotopic mass327.171234 Da
  • ChemSpider ID78316043

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,4β,7α)-3,4,7,15-Tetrahydroxy(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15)-12,13-epoxytrichothec-9-en-8-on [German] [ACD/IUPAC Name]
(3α,4β,7α)-3,4,7,15-Tetrahydroxy(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15)-12,13-epoxytrichothec-9-en-8-one [ACD/IUPAC Name]
(3α,4β,7α)-3,4,7,15-Tétrahydroxy(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15)-12,13-époxytrichothec-9-én-8-one [French] [ACD/IUPAC Name]
13C15-Nivalenol
911392-40-0 [RN]
Trichothec-9-en-8-one-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (2α,3α,4β,7α,12α)- [ACD/Index Name]
(1'S,2S,2'R,3'S,7'R,9'R,10'R,11'S)-3',10',11'-trihydroxy-2'-(hydroxy(113C)methyl)-1',5'-di((113C)methyl)spiro[(2,3-13C2)oxirane-2,12'-8-oxatricyclo[7.2.1.02,7]dodec-5-ene]-4'-one
Nivalenol 13C15

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 72.7±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: 28.8±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 197.4±5.0 cm3

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