Research chemical
CAS Number: 165689-81-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
643964
Exact Mass
890.49216
InChIKey
SZPQTEWIRPXBTC-KFOWTEFUSA-N
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
SMILES String
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
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.
D-myo-Inositol, 1-(2R)-2,3-bis(1-oxohexadecyl)oxypropyl hydrogen phosphate 3-(dihydrogen phosphate) is identified by CAS 165689-81-6, with molecular formula C41H80O16P2, molecular weight 891, InChIKey SZPQTEWIRPXBTC-KFOWTEFUSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
59
H-bond acceptors
16
H-bond donors
7
Rotatable bonds
38
Ring count
1
Aromatic rings
0
Topological polar surface area
256.04 Ų
Computed LogP
7.84
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
D-myo-Inositol, 1-(2R)-2,3-bis(1-oxohexadecyl)oxypropyl hydrogen phosphate 3-(dihydrogen phosphate) (CAS 165689-81-6) is maintained as a commercial cas reference with formula C41H80O16P2, molecular weight 891. 00 g/mol, PubChem CID 643964.
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.