Research chemical
CAS Number: 1807353-31-6
![(3beta,25R)-3-[6-[[(2S)-2-amino-5-[(aminoiminomethyl)amino]-1-oxopentyl]amino]hexanoate]spirost-5-en-3-ol,bis(2,2,2-trifluoroacetate) molecular structure, CAS 1807353-31-6](/structure-images/1807353-31-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
137700560
Exact Mass
911.484298
InChIKey
BUBYULRFSQOIII-XWXJGKJWSA-N
IUPAC Name
[(4S)-4-azaniumyl-5-oxo-5-[[6-oxo-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyhexyl]amino]pentyl]-(diaminomethylidene)azanium;bis(2,2,2-trifluoroacetate)
SMILES String
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)CCCCCNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F
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.
(3beta,25R)-3-[6-[[(2S)-2-amino-5-[(aminoiminomethyl)amino]-1-oxopentyl]amino]hexanoate]spirost-5-en-3-ol,bis(2,2,2-trifluoroacetate) is identified by CAS 1807353-31-6, with molecular formula C43H67F6N5O9, molecular weight 912, InChIKey BUBYULRFSQOIII-XWXJGKJWSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
63
H-bond acceptors
14
H-bond donors
9
Rotatable bonds
12
Ring count
6
Aromatic rings
0
Topological polar surface area
245.4 Ų
Computed LogP
1.59
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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
(3beta,25R)-3-[6-[[(2S)-2-amino-5-[(aminoiminomethyl)amino]-1-oxopentyl]amino]hexanoate]spirost-5-en-3-ol,bis(2,2,2-trifluoroacetate) (CAS 1807353-31-6) is maintained as a commercial cas reference with formula C43H67F6N5O9, molecular weight 912.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.