Research chemical
CAS Number: 163596-98-3
Product details
PubChem CID
156588938
Exact Mass
1139.712036
InChIKey
FHAYEICQQMDOQQ-SFBFHZDRSA-N
IUPAC Name
(2E,4E,6E,8E,12E,15S,16S,17R,18E,20E,22E,24E,26E,35S,37S,38E,41R,43S,45R,47S,48E,52E,55S,57R)-60-amino-15,17,29,33,35,37,41,43,45,47,51,55,57-tridecahydroxy-2,14,16,30-tetramethyl-31-oxohexaconta-2,4,6,8,12,18,20,22,24,26,38,48,52-tridecaenoic acid
SMILES String
C/C(=C\C=C\C=C\C=C\CC/C=C/C(C)[C@H](O)[C@@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(=O)CC(O)C[C@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/CC(O)/C=C/C[C@H](O)C[C@H](O)CCCN)C(=O)O
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
60-amino-15S,17R,29,33,35S,37S,41R,43S,45R,47S,51,55S,57R-tridecahydroxy-2,14,16S,30-tetramethyl-31-oxo-2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E,52E-hexacontatridecaenoic acid is identified by CAS 163596-98-3, with molecular formula C64H101NO16, molecular weight 1140.5, InChIKey FHAYEICQQMDOQQ-SFBFHZDRSA-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.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
81
H-bond acceptors
17
H-bond donors
16
Rotatable bonds
46
Ring count
0
Aromatic rings
0
Topological polar surface area
343.38 Ų
Computed LogP
5.67
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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
50 g/mol, PubChem CID 156588938.
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.
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.