Found 16 results

Search term: MF = 'C_{35}H_{51}NO_{4}'
ChemSpider 2D Image | (3R,5S)-5-{(2R,3R)-3-[(1R,2S,3Z)-3-{(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)-2-pyrrolidinone | C35H51NO4

(3R,5S)-5-{(2R,3R)-3-[(1R,2S,3Z)-3-{(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)-2-pyrrolidinone

  • Molecular FormulaC35H51NO4
  • Average mass549.784 Da
  • Monoisotopic mass549.381836 Da
  • ChemSpider ID59053704

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,5S)-5-{(2R,3R)-3-[(1R,2S,3Z)-3-{(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-methylencyclohexyliden]ethyliden}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3R,5S)-5-{(2R,3R)-3-[(1R,2S,3Z)-3-{(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)-2-pyrrolidinone [ACD/IUPAC Name]
(3R,5S)-5-{(2R,3R)-3-[(1R,2S,3Z)-3-{(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-méthylènecyclohexylidène]éthylidène}-1,2-diméthylcyclohexyl]-2-méthylbutyl}-3-hydroxy-3-méthyl-1-(2-phényléthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 5-[(2R,3R)-3-[(1R,2S,3Z)-3-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-1,2-dimethylcyclohexyl]-2-methylbutyl]-3-hydroxy-3-methyl-1-(2-phenylethyl)-, (3R,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 715.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.8±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 162.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18792.82
ACD/KOC (pH 5.5): 39894.24
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18792.80
ACD/KOC (pH 7.4): 39894.20
Polar Surface Area: 81 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 486.1±5.0 cm3

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