Found 1 result

Search term: XZTCVMGTFXITNZ-KTKRTIGZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {3-[(9Z)-9-Octadecenoylamino]propanethioyl}phosphonic acid | C21H40NO4PS

{3-[(9Z)-9-Octadecenoylamino]propanethioyl}phosphonic acid

  • Molecular FormulaC21H40NO4PS
  • Average mass433.585 Da
  • Monoisotopic mass433.241577 Da
  • ChemSpider ID23200036

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-[(9Z)-9-Octadecenoylamino]propanethioyl}phosphonic acid [ACD/IUPAC Name]
{3-[(9Z)-9-Octadecenoylamino]propanethioyl}phosphonsäure [German] [ACD/IUPAC Name]
{3-[(9Z)-octadec-9-enoylamino]propanethioyl}phosphonic acid
Acide {3-[(9Z)-9-octadecenoylamino]propanethioyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [3-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]-1-thioxopropyl]- [ACD/Index Name]
[3-((Z)-Octadec-9-enoylamino)-thiopropionyl]-phosphonic acid
CHEMBL325970
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL325970/

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.515
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

Click to predict properties on the Chemicalize site


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