Research chemical
CAS Number: 485815-61-0
![2-[21-[1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5-hydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-11,17,19-trimethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide molecular structure, CAS 485815-61-0](/structure-images/485815-61-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
76181572
Exact Mass
824.52993
InChIKey
ABOXJBHGJDKUNW-UHFFFAOYSA-N
SMILES String
CC(=CCC(O)C=CC(C)C(O)C=CCC(O)C=CCC(O)CC1CCCN1C(=N)N)C(O)C(C)CCC1C(C)=CC2C(O)CCCC2C1(C)C(O)=C1C(=O)CNC1=O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
2-[21-[1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5-hydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-11,17,19-trimethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide is identified by CAS 485815-61-0, with molecular formula C46H72N4O9, molecular weight 825.1, InChIKey ABOXJBHGJDKUNW-UHFFFAOYSA-N.
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Heavy atom count
59
H-bond acceptors
13
H-bond donors
11
Rotatable bonds
19
Ring count
4
Aromatic rings
0
Topological polar surface area
240.89 Ų
Computed LogP
4.25
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
10 g/mol, PubChem CID 76181572.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.