Research chemical
CAS Number: 105172-95-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
128812
Exact Mass
586.275429
InChIKey
UPUKKDCTWWVPCJ-NUPIXEBLSA-N
IUPAC Name
[(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
SMILES String
CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
3-((Hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl)oxy)propane-1,2-diyl dioctanoate is identified by CAS 105172-95-0, with molecular formula C25H47O13P, molecular weight 586.6, InChIKey UPUKKDCTWWVPCJ-NUPIXEBLSA-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
39
H-bond acceptors
13
H-bond donors
6
Rotatable bonds
20
Ring count
1
Aromatic rings
0
Topological polar surface area
209.51 Ų
Computed LogP
1.48
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
3-((Hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl)oxy)propane-1,2-diyl dioctanoate (CAS 105172-95-0) is maintained as a commercial cas reference with formula C25H47O13P, molecular weight 586. 60 g/mol, PubChem CID 128812.
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.