ChemSpider 2D Image | (8S,14S,16R,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl (3E,5S)-5-hydroxy-3-heptenoate | C31H44O7

(8S,14S,16R,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl (3E,5S)-5-hydroxy-3-heptenoate

  • Molecular FormulaC31H44O7
  • Average mass528.677 Da
  • Monoisotopic mass528.308716 Da
  • ChemSpider ID34981532

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3E,5S)-5-Hydroxy-3-hepténoate de (8S,14S,16R,24R)-14,16-dihydroxy-24-méthyl-2-oxooxacyclotétracosa-3,5,9,11,17,19-hexaén-8-yle [French] [ACD/IUPAC Name]
(8S,14S,16R,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl (3E,5S)-5-hydroxy-3-heptenoate [ACD/IUPAC Name]
(8S,14S,16R,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl-(3E,5S)-5-hydroxy-3-heptenoat [German] [ACD/IUPAC Name]
3-Heptenoic acid, 5-hydroxy-, (8S,14S,16R,24R)-14,16-dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl ester, (3E,5S)- [ACD/Index Name]
7-O-methyl-5′-hydroxy-3′-heptenoate-macrolactin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 229.4±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 852.09
ACD/KOC (pH 5.5): 4357.56
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 852.09
ACD/KOC (pH 7.4): 4357.55
Polar Surface Area: 113 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 470.4±5.0 cm3

Click to predict properties on the Chemicalize site


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