ChemSpider 2D Image | homoyessotoxin | C56H84O21S2

homoyessotoxin

  • Molecular FormulaC56H84O21S2
  • Average mass1157.384 Da
  • Monoisotopic mass1156.494629 Da
  • ChemSpider ID4944614

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 26 of 26 defined stereocentres

More details:

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

196309-94-1 [RN]
3-[(2S,4aS,5aR,6R,6aS,7aR,8S,10aS,11aR,13aS,14aR,15aS,16aR,18S,19R,20aS,21aR,22aS,23aR,24aS,25aR,26aS,27aR,28aS,29aR)-6-Hydroxy-2-[(2R,3E)-2-hydroxy-5-methylen-3,7-octadien-2-yl]-5a,8,10a,11a,19-penta methyl-3-methylen-18-(sulfooxy)octatriacontahydropyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':5''',6''']pyrano[2''',3 ''':5'',6'']pyrano[2'',3'':6',7']oxepino[2', [German] [ACD/IUPAC Name]
3-[(2S,4aS,5aR,6R,6aS,7aR,8S,10aS,11aR,13aS,14aR,15aS,16aR,18S,19R,20aS,21aR,22aS,23aR,24aS,25aR,26aS,27aR,28aS,29aR)-6-Hydroxy-2-[(2R,3E)-2-hydroxy-5-methylene-3,7-octadien-2-yl]-5a,8,10a,11a,19-pent amethyl-3-methylene-18-(sulfooxy)octatriacontahydropyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':5''',6''']pyrano[2''' ,3''':5'',6'']pyrano[2'',3'':6',7']oxepino[2 [ACD/IUPAC Name]
homoyessotoxin
Hydrogénosulfate de 3-[(2S,4aS,5aR,6R,6aS,7aR,8S,10aS,11aR,13aS,14aR,15aS,16aR,18S,19R,20aS,21aR,22aS,23aR,24aS,25aR,26aS,27aR,28aS,29aR)-6-hydroxy-2-[(2R,3E)-2-hydroxy-5-méthylène-3,7-octadién-2-yl]- 5a,8,10a,11a,19-pentaméthyl-3-méthylène-18-(sulfooxy)octatriacontahydropyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':5 ''',6''']pyrano[2''',3''':5'',6'']pyrano[2'' [French] [ACD/IUPAC Name]
3-De(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)yessotoxin
Yessotoxin, 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-

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: 1.604
Molar Refractivity: 283.7±0.4 cm3
#H bond acceptors: 21
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 112.4±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 824.4±5.0 cm3

Click to predict properties on the Chemicalize site


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