Research chemical
CAS Number: 474944-16-6
![Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-{3-[(pyridin-2-yl)disulfanyl]propanamido}ethyl phosphate molecular structure, CAS 474944-16-6](/structure-images/474944-16-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46907840
Exact Mass
910.494056
InChIKey
IUSHQKJFHVODPF-QUEDAWNRSA-M
IUPAC Name
sodium [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethyl phosphate
SMILES String
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC/N=C(\[O-])CCSSc1ccccn1)OC(=O)CCCCCCCCCCCCCCC.[Na+]
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.
Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-{3-[(pyridin-2-yl)disulfanyl]propanamido}ethyl phosphate is identified by CAS 474944-16-6, with molecular formula C45H80N2NaO9PS2, molecular weight 911.2, InChIKey IUSHQKJFHVODPF-QUEDAWNRSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
60
H-bond acceptors
11
H-bond donors
1
Rotatable bonds
43
Ring count
1
Aromatic rings
1
Topological polar surface area
156.67 Ų
Computed LogP
9.53
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
Yes
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
Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-{3-[(pyridin-2-yl)disulfanyl]propanamido}ethyl phosphate (CAS 474944-16-6) is maintained as a commercial cas reference with formula C45H80N2NaO9PS2, molecular weight 911. 20 g/mol, PubChem CID 46907840.
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 nitrogen-containing heterocycle, 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.