Found 24 results

Search term: MF = 'C_{36}H_{51}NO_{6}'
ChemSpider 2D Image | 2-Phenylethyl (1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylate | C36H51NO6

2-Phenylethyl (1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylate

  • Molecular FormulaC36H51NO6
  • Average mass593.793 Da
  • Monoisotopic mass593.371643 Da
  • ChemSpider ID128434635

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-Cyano-8,16-dihydroxy-9,11,13,15-tétraméthyl-18-oxooxacyclooctadéca-4,6-dién-2-yl]cyclopentanecarboxylate de 2-phényléthyle [French] [ACD/IUPAC Name]
2-Phenylethyl (1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylate [ACD/IUPAC Name]
2-Phenylethyl-(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyan-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentancarboxylat [German] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]-, 2-phenylethyl ester, (1R,2R)- [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: 757.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.9±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 57457.72
ACD/KOC (pH 5.5): 88781.66
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 57457.59
ACD/KOC (pH 7.4): 88781.46
Polar Surface Area: 117 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 525.6±5.0 cm3

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