ChemSpider 2D Image | (4Z,7E)-10-[(1R,4S,12S,13R)-6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.1~1,5~.1~11,15~.1~15,19~.1~25,29~]tritetracont-37-en-21-yl]-2,10-dihydroxydeca-4,7-dienoic acid | C52H84O19

(4Z,7E)-10-[(1R,4S,12S,13R)-6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.11,5.111,15.115,19.125,29]tritetracont-37-en-21-yl]-2,10-dihydroxydeca-4,7-dienoic acid

  • Molecular FormulaC52H84O19
  • Average mass1013.212 Da
  • Monoisotopic mass1012.560669 Da
  • ChemSpider ID8526494

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 21 defined stereocentres

More details:

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

(4Z,7E)-10-[(1R,4S,12S,13R)-6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.11,5.111,15.115,19.125,29]tritetracont-37-en-21-yl]-2,10-dihydroxydeca-4,7-dienoic acid
(4Z,7E)-10-[(1R,4S,5R,11R,12S,13R,35R)-6,7,12,19,31,33-Hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.11,5.111,15.115,19.125,29]tritetracont-37-e
 n-21-yl]-2,10-dihydroxy-4,7-decadienoic acid [ACD/IUPAC Name]
(4Z,7E)-10-[(1R,4S,5R,11R,12S,13R,35R)-6,7,12,19,31,33-Hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.11,5.111,15.115,19.125,29]tritetracont-37-e
 n-21-yl]-2,10-dihydroxy-4,7-decadiensäure [German] [ACD/IUPAC Name]
4,7-decadienoic acid, 10-[(1R,4S,12S,13R)-6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.11,5.111,15.115,19.125,29]tritetracont-37-en-21-yl]-2,10-dihydroxy-, (4Z,7E)-
4,7-Decadienoic acid, 10-[(1R,4S,5R,11R,12S,13R,35R)-6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.11,5.111,15.115,19.125,29]tri tetracont-37-en-21-yl]-2,10-dihydroxy-, (4Z,7E)- [ACD/Index Name]
Acide (4Z,7E)-10-[(1R,4S,5R,11R,12S,13R,35R)-6,7,12,19,31,33-hexahydroxy-4,13-diméthoxy-8,18,36-triméthyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.11,5.111,15.115,19.125,29]tritétracon 
t-37-én-21-yl]-2,10-dihydroxy-4,7-décadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1125.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.3±6.0 kJ/mol
Flash Point: 313.7±27.8 °C
Index of Refraction: 1.588
Molar Refractivity: 257.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 11.60
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 102.3±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 766.0±5.0 cm3

Click to predict properties on the Chemicalize site


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