1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt

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Catalog Number
ACM108392025
Product Name
1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt
Structure
Structure
CAS
108392-02-5
Category
Heterocyclic Organic Compound
Synonyms
DOPA
Molecular Weight
724
Molecular Formula
C39H73NaO8P
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]
InChI
InChI=1S/C39H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44);/b19-17-,20-18-;/t37-;/m1./s1
InChI Key
KHDHADSEKGCPKW-ZBFGHDQJSA-N
Complexity
838
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
1
Exact Mass
723.49407556
Heavy Atom Count
49
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
2
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na]
Monoisotopic Mass
723.49407556
Physical State
Solid
Rotatable Bond Count
38
Storage Conditions
-20 °C
Topological Polar Surface Area
119 Ų
MSDS
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COA
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Spec Sheet
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