ChemSpider 2D Image | (5aR,6R,8S,10aS,11aR,18S,19R)-6-Hydroxy-2-[(2R,3E)-2-hydroxy-5-methylene-3,7-octadien-2-yl]-5a,8,10a,11a,19-pentamethyl-3-methylene-19-[2-(sulfooxy)ethyl]octatriacontahydropyrano[2''',3''':5'',6'']pyr ano[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',3':5,6]pyrano[2,3-g]oxocin-18-yl hydrogen sulfate | C55H82O21S2

(5aR,6R,8S,10aS,11aR,18S,19R)-6-Hydroxy-2-[(2R,3E)-2-hydroxy-5-methylene-3,7-octadien-2-yl]-5a,8,10a,11a,19-pentamethyl-3-methylene-19-[2-(sulfooxy)ethyl]octatriacontahydropyrano[2''',3''':5'',6'']pyr ano[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',3':5,6]pyrano[2,3-g]oxocin-18-yl hydrogen sulfate

  • Molecular FormulaC55H82O21S2
  • Average mass1143.357 Da
  • Monoisotopic mass1142.479004 Da
  • ChemSpider ID57643568

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 26 defined stereocentres

More details:

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

(5aR,6R,8S,10aS,11aR,18S,19R)-6-Hydroxy-2-[(2R,3E)-2-hydroxy-5-methylen-3,7-octadien-2-yl]-5a,8,10a,11a,19-pentamethyl-3-methylen-19-[2-(sulfooxy)ethyl]octatriacontahydropyrano[2''',3''':5'',6'']pyran o[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',3':5,6]pyrano[2,3-g]oxocin-18-ylhyd rogensulfat [German] [ACD/IUPAC Name]
(5aR,6R,8S,10aS,11aR,18S,19R)-6-Hydroxy-2-[(2R,3E)-2-hydroxy-5-methylene-3,7-octadien-2-yl]-5a,8,10a,11a,19-pentamethyl-3-methylene-19-[2-(sulfooxy)ethyl]octatriacontahydropyrano[2''',3''':5'',6'']pyr ano[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',3':5,6]pyrano[2,3-g]oxocin-18-yl hydrogen sulfate [ACD/IUPAC Name]
Hydrogénosulfate de (5aR,6R,8S,10aS,11aR,18S,19R)-6-hydroxy-2-[(2R,3E)-2-hydroxy-5-méthylène-3,7-octadién-2-yl]-5a,8,10a,11a,19-pentaméthyl-3-méthylène-19-[2-(sulfooxy)éthyl]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']oxépino[2',3':5,6]pyrano [2,3-g]oxocin-18-yle [French] [ACD/IUPAC Name]

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: 1.607
Molar Refractivity: 279.0±0.4 cm3
#H bond acceptors: 21
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 110.6±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 808.5±5.0 cm3

Click to predict properties on the Chemicalize site


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