Cas no 133321-35-4 (L-Serine, hexadecylhydrogen phosphate (ester) (9CI))

L-Serine, hexadecylhydrogen phosphate (ester) (9CI) structure
133321-35-4 structure
Product Name:L-Serine, hexadecylhydrogen phosphate (ester) (9CI)
CAS No:133321-35-4
MF:C19H40NO6P
MW:409.497767448425
CID:191495
Update Time:2024-01-25

L-Serine, hexadecylhydrogen phosphate (ester) (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Serine, hexadecylhydrogen phosphate (ester) (9CI)
    • hexadecylphosphoserine
    • (2S)-2-amino-3-hydroxypropanoyl hexadecyl hydrogen phosphate
    • Hexadecylphospho-L-serine
    • L-Serine, hexadecyl hydrogen phosphate ester
    • L-Serine, hexadecyl hydrogen phosphate (ester) (9CI)
    • Inchi: 1S/C19H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-27(23,24)26-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)(H,23,24)/t18-/m0/s1
    • InChI Key: DVFFVSCWYBNHJP-SFHVURJKSA-N
    • SMILES: C(O)(=O)[C@H](COP(OCCCCCCCCCCCCCCCC)(O)=O)N

Computed Properties

  • Exact Mass: 409.2595
  • Monoisotopic Mass: 409.259325
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 20
  • Complexity: 408
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 119

Experimental Properties

  • Density: 1.091
  • Boiling Point: 540.1°Cat760mmHg
  • Flash Point: 280.4°C
  • Refractive Index: 1.482
  • PSA: 119.08
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