Cas no 807617-46-5 (C16-Sphingomyelin-d13)

C16-Sphingomyelin-d13 structure
C16-Sphingomyelin-d13 structure
Product Name:C16-Sphingomyelin-d13
CAS No:807617-46-5
MF:C39H79N2O6P
MW:734.21914601326
CID:4553584
PubChem ID:131708699
Update Time:2024-10-27

C16-Sphingomyelin-d13 Chemical and Physical Properties

Names and Identifiers

    • N-palmitoyl-d31-D-erythro-sphingosylphosphorylcholine
    • N-Palmitoyl(D31)-D-erythro-sphingosylphosphorylcholine
    • 807617-46-5
    • C16-Sphingomyelin-d13
    • HY-141629S
    • N-Palmitoyl-D-sphingomyelin-d31
    • [(E,2S,3R)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
    • 16:0-d31 SM, N-palmitoyl-d31-D-erythro-sphingosylphosphorylcholine, powder
    • MDL: MFCD22416907
    • Inchi: 1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1/i2D3,7D2,9D2,11D2,13D2,15D2,17D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2,33D2
    • InChI Key: RWKUXQNLWDTSLO-XDEXOTOPSA-N
    • SMILES: [C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 733.76215437g/mol
  • Monoisotopic Mass: 733.76215437g/mol
  • Isotope Atom Count: 31
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 37
  • Complexity: 796
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 12.3
  • Topological Polar Surface Area: 108?2

C16-Sphingomyelin-d13 Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • Storage Condition:?20°C

C16-Sphingomyelin-d13 Pricemore >>

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