Found 2 results

Search term: NJUIBIWJAXMJKR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (10Z)-11-(5-{[(3S)-3-Carboxybutanoyl]carbamoyl}-4-oxo-1,4-dihydro-2-pyridinyl)-10-undecenoic acid | C22H30N2O7

(10Z)-11-(5-{[(3S)-3-Carboxybutanoyl]carbamoyl}-4-oxo-1,4-dihydro-2-pyridinyl)-10-undecenoic acid

  • Molecular FormulaC22H30N2O7
  • Average mass434.483 Da
  • Monoisotopic mass434.205292 Da
  • ChemSpider ID29215338

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10Z)-11-(5-{[(3S)-3-Carboxybutanoyl]carbamoyl}-4-oxo-1,4-dihydro-2-pyridinyl)-10-undecenoic acid [ACD/IUPAC Name]
(10Z)-11-(5-{[(3S)-3-Carboxybutanoyl]carbamoyl}-4-oxo-1,4-dihydro-2-pyridinyl)-10-undecensäure [German] [ACD/IUPAC Name]
10-Undecenoic acid, 11-[5-[[[(3S)-3-carboxy-1-oxobutyl]amino]carbonyl]-1,4-dihydro-4-oxo-2-pyridinyl]-, (10Z)- [ACD/Index Name]
Acide (10Z)-11-(5-{[(3S)-3-carboxybutanoyl]carbamoyl}-4-oxo-1,4-dihydro-2-pyridinyl)-10-undécénoïque [French] [ACD/IUPAC Name]
himeic acid E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 353.2±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

Click to predict properties on the Chemicalize site


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