ChemSpider 2D Image | (2S,3R,4R,5S,6E,14R)-2-Acetamido-3,4,5,14-tetrahydroxy-6-icosenoic acid | C22H41NO7

(2S,3R,4R,5S,6E,14R)-2-Acetamido-3,4,5,14-tetrahydroxy-6-icosenoic acid

  • Molecular FormulaC22H41NO7
  • Average mass431.563 Da
  • Monoisotopic mass431.288300 Da
  • ChemSpider ID24823242

  • 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

(2S,3R,4R,5S,6E,14R)-2-Acetamido-3,4,5,14-tetrahydroxy-6-icosenoic acid [ACD/IUPAC Name]
(2S,3R,4R,5S,6E,14R)-2-Acetamido-3,4,5,14-tetrahydroxy-6-icosensäure [German] [ACD/IUPAC Name]
6-Eicosenoic acid, 2-(acetylamino)-3,4,5,14-tetrahydroxy-, (2S,3R,4R,5S,6E,14R)- [ACD/Index Name]
Acide (2S,3R,4R,5S,6E,14R)-2-acétamido-3,4,5,14-tétrahydroxy-6-icosénoïque [French] [ACD/IUPAC Name]
2S-acetamido-3R,4R,5S,14R-tetrahydroxyeicos-6E-enoic acid
Sphingofungin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 704.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.522
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 377.8±3.0 cm3

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