Research chemical
CAS Number: 439904-33-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
91885957
Exact Mass
663.374749
InChIKey
PEZXEQJZQAVYCZ-NLMPBQEBSA-N
IUPAC Name
[(2R)-2-[(E)-7-carboxy-5-oxohept-6-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILES String
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C(=O)O
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
KOdiA-PC is identified by CAS 439904-33-3, with molecular formula C32H58NO11P, molecular weight 663.8, InChIKey PEZXEQJZQAVYCZ-NLMPBQEBSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
45
H-bond acceptors
12
H-bond donors
1
Rotatable bonds
30
Ring count
0
Aromatic rings
0
Topological polar surface area
165.56 Ų
Computed LogP
5.51
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
KOdiA-PC (CAS 439904-33-3) is maintained as a commercial cas reference with formula C32H58NO11P, molecular weight 663. 80 g/mol, PubChem CID 91885957.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.