Research chemical
CAS Number: 1314402-89-5
![Octadec-9-enoic acid 2-{[2-tert-butoxycarbonylamino-2-(methoxy-methyl-carbamoyl)-ethoxy]-hydroxy-phosphoryloxy}-1-octadec-9-enoyloxymethyl-ethyl ester molecular structure, CAS 1314402-89-5](/structure-images/1314402-89-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46735498
Exact Mass
930.630963
InChIKey
HRINCZHNUANIHG-WNLODXHKSA-N
IUPAC Name
[(2R)-3-[hydroxy-[(2S)-3-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropoxy]phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
SMILES String
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)OC)OC(=O)CCCCCCC/C=C\CCCCCCCC
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.
Octadec-9-enoic acid 2-{[2-tert-butoxycarbonylamino-2-(methoxy-methyl-carbamoyl)-ethoxy]-hydroxy-phosphoryloxy}-1-octadec-9-enoyloxymethyl-ethyl ester is identified by CAS 1314402-89-5, with molecular formula C49H91N2O12P, molecular weight 931.2, InChIKey HRINCZHNUANIHG-WNLODXHKSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
64
H-bond acceptors
14
H-bond donors
2
Rotatable bonds
42
Ring count
0
Aromatic rings
0
Topological polar surface area
176.23 Ų
Computed LogP
12.56
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
20 g/mol, PubChem CID 46735498.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.