ChemSpider 2D Image | CTX-1 | C60H86O19

CTX-1

  • Molecular FormulaC60H86O19
  • Average mass1111.313 Da
  • Monoisotopic mass1110.576294 Da
  • ChemSpider ID16736413
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 32 of 33 defined stereocentres


More details:






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

(2R,2'R,3a'S,4S,4a'R,5'S,6'S,9'S,10'S,10a'R,11a'S,12a'R,13a'S,14a'R,15a'S,17'Z,19a'R,20a'S,22a'R,23a'S,24'R,24a'R,26'R,29a'S,30a'R,31a'S,32a'R,34a'S,35a'R,37'R,37a'S,38a'R)-26'-[(1E,3S)-3,4-Dihydroxy- 1-buten-1-yl]-2',5',9',10',37a'-pentamethyl-1',3',3a',4,4a',5,5',6',6a',9',10',10a',11a',12',12a',13a',14',14a',15a',16',19',19a',20a',22a',23a',24',24a',26',29',29a',30a',31',31a',32a',34a',35a',36', 37',37a',38a'-tetracontahydro-2'H,3H-spiro[f [ACD/IUPAC Name]
11050-21-8 [RN]
Ciguatoxin 1
CTX-1
ciguatoxin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 284.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3312.27
ACD/KOC (pH 5.5): 11515.96
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3312.25
ACD/KOC (pH 7.4): 11515.91
Polar Surface Area: 241 Å2
Polarizability: 112.6±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 800.6±5.0 cm3

Click to predict properties on the Chemicalize site






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