Structural formula of Biotin-Cap-DPPE Na salt

Biotin-Cap-DPPE Na salt

Product number: 37-1621
CAS number: 384835-52-3
Synonyms: Hexadecanoic acid, (1R)-1-[19-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8,15-dioxo-2,4-dioxa-7,14-diaza-3-phosphanonadec-1-yl]-1,2-ethanediyl ester, monosodium salt, 1,1′-[(1R)-1-[19-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8,15-dioxo-2,4-dioxa-7,14-diaza-3-phosphanonadec-1-yl]-1,2-ethanediyl] dihexadecanoate sodium salt (1:1), C16:0 Biotinyl Cap PE, Dipalmityl-sn-glycero-3-Phosphoethanolamin-N-(Cap-Biotin)-sodium

Identifiers

CAS Index Name: Hexadecanoic acid, 1,1′-[(1R)-1-[19-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8,15-dioxo-2,4-dioxa-7,14-diaza-3-phosphanonadec-1-yl]-1,2-ethanediyl] ester, sodium salt (1:1)
Molecular formula: C53H99N4O11PS.Na
Molecular weight: 1054.41
Smiles: [Na].O=C1NC2CSC(CCCCC(=O)NCCCCCC(=O)NCCOP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C2N1
Isomeric Smiles: C(CCCC(NCCCCCC(NCCOP(OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)O)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H].[Na]
InChI: InChI=1S/C53H99N4O11PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-50(60)65-42-45(68-51(61)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2)43-67-69(63,64)66-41-40-55-49(59)35-28-27-33-39-54-48(58)36-32-31-34-47-52-46(44-70-47)56-53(62)57-52;/h45-47,52H,3-44H2,1-2H3,(H,54,58)(H,55,59)(H,63,64)(H2,56,57,62);/t45-,46+,47+,52+;/m1./s1
InChIKey: InChIKey=JXFQOXQSAGWJIJ-OHXMQTJZSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
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