ChemSpider 2D Image | (3alpha,5alpha,7alpha,12xi)-7,15-Dihydroxy-8-oxo(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-~13~C_15_)-12,13-epoxytrichothec-9-en-3-yl (~13~C_2_)acetate | 13C17H22O7

(3α,5α,7α,12ξ)-7,15-Dihydroxy-8-oxo(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15)-12,13-epoxytrichothec-9-en-3-yl (13C2)acetate

  • Molecular Formula13C17H22O7
  • Average mass355.228 Da
  • Monoisotopic mass355.193573 Da
  • ChemSpider ID78316046

  • defined stereocentres - 6 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(13C2)Acétate de (3α,5α,7α,12ξ)-7,15-dihydroxy-8-oxo(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15)-12,13-époxytrichothec-9-én-3-yle [French] [ACD/IUPAC Name]
(3α,5α,7α,12ξ)-7,15-Dihydroxy-8-oxo(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15)-12,13-epoxytrichothec-9-en-3-yl (13C2)acetate [ACD/IUPAC Name]
(3α,5α,7α,12ξ)-7,15-Dihydroxy-8-oxo(2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15)-12,13-epoxytrichothec-9-en-3-yl-(13C2)acetat [German] [ACD/IUPAC Name]
Acetic-13C2 acid, (2α,3β,5α,6β,7β,11β,12ξ)-12,13-epoxy-7,15-dihydroxy-8-oxotrichothec-9-en-3-yl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C15 ester [ACD/Index Name]
1217476-81-7 [RN]
3-Acetyldeoxynivalenol 13C17

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: 1.595
Molar Refractivity: 80.7±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: 32.0±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 237.5±5.0 cm3

Click to predict properties on the Chemicalize site


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