ChemSpider 2D Image | (4E)-5-{2-[{6-[3-(3,10'-Dimethyl-8'H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.0~2,6~]dodecan]-8'-yl)-1-propen-2-yl]-2-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl}(hydroxy)methyl]-6-methyldo decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl}-3-hydroxy-4-pentenoic acid | C46H71NO13

(4E)-5-{2-[{6-[3-(3,10'-Dimethyl-8'H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.02,6]dodecan]-8'-yl)-1-propen-2-yl]-2-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl}(hydroxy)methyl]-6-methyldo decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl}-3-hydroxy-4-pentenoic acid

  • Molecular FormulaC46H71NO13
  • Average mass846.055 Da
  • Monoisotopic mass845.492554 Da
  • ChemSpider ID44210836

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-5-{2-[{6-[3-(3,10'-Dimethyl-8'H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.02,6]dodecan]-8'-yl)-1-propen-2-yl]-2-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl}(hydroxy)methyl]-6-methyldo 
decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl}-3-hydroxy-4-pentenoic acid [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 219.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 4.16
ACD/KOC (pH 5.5): 18.80
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 16.33
Polar Surface Area: 184 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 646.6±5.0 cm3

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