ChemSpider 2D Image | (2S)-2-Hydroxy-2-({(2S,4Z)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutanoic acid | C19H27NO6

(2S)-2-Hydroxy-2-({(2S,4Z)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutanoic acid

  • Molecular FormulaC19H27NO6
  • Average mass365.421 Da
  • Monoisotopic mass365.183838 Da
  • ChemSpider ID28286991
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


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(2S)-2-Hydroxy-2-({(2S,4Z)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-yliden]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutansäure [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-({(2S,4Z)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutanoic acid [ACD/IUPAC Name]
2-Pyrrolidinepropanoic acid, α-hydroxy-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-α-(1-methylethyl)-3,5-dioxo-, (αS,2S,4Z)- [ACD/Index Name]
Acide (2S)-2-hydroxy-2-({(2S,4Z)-4-[(2E,4E)-1-hydroxy-2,4-octadién-1-ylidène]-1-méthyl-3,5-dioxo-2-pyrrolidinyl}méthyl)-3-méthylbutanoïque [French] [ACD/IUPAC Name]
(?S,?2S,?4Z)?-?-?hydroxy-?4-?[(2E,?4E)?-?1-?hydroxy-?2,?4-?octadien-?1-?ylidene]?-?1-?methyl-??-?(1-?methylethyl)?-?3,?5-?dioxo-2-?Pyrrolidinepropanoic acid?
157148-06-6 [RN]
Harzianic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 619.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 328.5±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

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