Cas no 116457-99-9 (3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)-)

3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)- structure
116457-99-9 structure
Product Name:3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)-
CAS No:116457-99-9
MF:C40H84N2O5PS
MW:736.144132614136
CID:138928
PubChem ID:10259407
Update Time:2025-04-19

3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)- Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)-
    • 1-PALMITYLTHIO-2-PALMITOYLAMIDO-1,2-DIDEOXY-SN-GLYCERO-3-PHOSPHOCHOLINE
    • 2-[[(2S)-2-(hexadecanoylamino)-3-hexadecylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
    • 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)
    • Thioetheramide-PC
    • 1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine
    • Thioetheramide PC
    • WLWWVTPUDQTUJU-KDXMTYKHSA-N
    • Thioetheramide phosphorylcholine
    • 1-PALMITYLTHIO-2-PALMITOYLAMINO-1,2-DIDEOXY-SN-GLYCERO-3-PHOSPHORYLCHOLINE
    • 1-PALMITYLTHIO-2-PALMITOYLAMIDO-1,2-DIDEOXY-SN-GLYCERO-3-PHOSPHORYLCHOLINE
    • 1,2-DIDEOXY-1-(S-HEXADECYL)THIO-2-(N-HEXADECANOYL)AMINO-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
    • C04873
    • DTXSID60437378
    • 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide, (7S)-
    • CTK8E7838
    • 2-[[(2S)-2-(hexadecanoylamino)-3-hexadecylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
    • 116457-99-9
    • SR-01000947058-1
    • SR-01000947058
    • (2-{[(2S)-2-hexadecanamido-3-(hexadecylsulfanyl)propoxy(hydroxy)phosphoryl]oxy}ethyl)trimethylaminyl
    • Inchi： 1S/C40H83N2O5PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49-38-39(37-47-48(44,45)46-35-34-42(3,4)5)41-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3,(H-,41,43,44,45)/p+1/t39-/m0/s1
    • InChI Key： WLWWVTPUDQTUJU-KDXMTYKHSA-O
    • SMILES： S(C[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 788.65900
  • Monoisotopic Mass: 735.58385696g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 40
  • Complexity: 767
  • 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
  • Surface Charge: 1
  • Tautomer Count: 2
  • XLogP3: 14.1
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • Color/Form: Not available
  • PSA: 113.57000
  • LogP: 14.85480
  • Solubility: Not available

3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci6474-1mg
Thioetheramide-PC
 116457-99-9 98%
1mg
 ￥327.00 2023-09-10
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci6474-5mg
Thioetheramide-PC
 116457-99-9 98%
5mg
 ￥1400.00 2023-09-10
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci6474-10mg
Thioetheramide-PC
 116457-99-9 98%
10mg
 ￥2392.00 2023-09-10
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci6474-25mg
Thioetheramide-PC
 116457-99-9 98%
25mg
 ￥5238.00 2023-09-10
SHENG KE LU SI SHENG WU JI SHU
sc-202840-5 mg
Thioetheramide PC,
 116457-99-9 ≥98%
5mg
 ￥429.00 2023-07-10
SHENG KE LU SI SHENG WU JI SHU
sc-202840A-25 mg
Thioetheramide PC,
 116457-99-9 ≥98%
25mg
 ￥2,286.00 2023-07-10
SHENG KE LU SI SHENG WU JI SHU
sc-202840-5mg
Thioetheramide PC,
 116457-99-9 ≥98%
5mg
 ￥429.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-202840A-25mg
Thioetheramide PC,
 116457-99-9 ≥98%
25mg
 ￥2286.00 2023-09-05
A2B Chem LLC
AA16071-5mg
3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide, (7S)-
 116457-99-9 ≥95%
5mg
 $63.00 2024-04-20
A2B Chem LLC
AA16071-10mg
3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide, (7S)-
 116457-99-9 ≥95%
10mg
 $118.00 2024-04-20

3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)- Related Literature

116457-99-9 (3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)amino]-, inner salt, 4-oxide,(7S)-) Related Products

Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd