ChemSpider 2D Image | (1R,2R)-2-[(2S,4E,6Z,8S,9S,11R,13S,15S,16S)-7-Cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid | C28H43NO6

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

  • Molecular FormulaC28H43NO6
  • Average mass489.644 Da
  • Monoisotopic mass489.309052 Da
  • ChemSpider ID71048445

  • 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,8S,9S,11R,13S,15S,16S)-7-Cyan-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-[(2S,4E,6Z,8S,9S,11R,13S,15S,16S)-7-Cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-[(2S,4E,6Z,8S,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tétraméthyl-18-oxooxacyclooctadéca-4,6-dién-2-yl]cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[(2S,4E,6Z,8S,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]-, (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: 710.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 383.4±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 186.94
ACD/KOC (pH 5.5): 770.80
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 12.11
Polar Surface Area: 128 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 426.5±5.0 cm3

Click to predict properties on the Chemicalize site


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