Research chemical
CAS Number: 460051-49-4
![Tetrasodium 4-(3-{4-[1,5-dioxo-1,5-bis(4-sulfonatophenyl)pentan-3-yl]phenyl}-5-oxo-5-(4-sulfonatophenyl)pentanoyl)benzene-1-sulfonate molecular structure, CAS 460051-49-4](/structure-images/460051-49-4.png?v=struct-v3)
Product details
PubChem CID
44888523
Exact Mass
986.000747
InChIKey
YCRXMVZUKOXOBV-UHFFFAOYSA-J
IUPAC Name
tetrasodium;4-[3-[4-[1,5-dioxo-1,5-bis(4-sulfonatophenyl)pentan-3-yl]phenyl]-5-oxo-5-(4-sulfonatophenyl)pentanoyl]benzenesulfonate
SMILES String
O=C(CC(CC(=O)c1ccc(S(=O)(=O)[O-])cc1)c1ccc(C(CC(=O)c2ccc(S(=O)(=O)[O-])cc2)CC(=O)c2ccc(S(=O)(=O)[O-])cc2)cc1)c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Tetrasodium 4-(3-{4-[1,5-dioxo-1,5-bis(4-sulfonatophenyl)pentan-3-yl]phenyl}-5-oxo-5-(4-sulfonatophenyl)pentanoyl)benzene-1-sulfonate is identified by CAS 460051-49-4, with molecular formula C40H30Na4O16S4, molecular weight 986.9, InChIKey YCRXMVZUKOXOBV-UHFFFAOYSA-J.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
64
H-bond acceptors
16
H-bond donors
0
Rotatable bonds
18
Ring count
5
Aromatic rings
5
Topological polar surface area
297.08 Ų
Computed LogP
-7.42
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
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
Tetrasodium 4-(3-{4-[1,5-dioxo-1,5-bis(4-sulfonatophenyl)pentan-3-yl]phenyl}-5-oxo-5-(4-sulfonatophenyl)pentanoyl)benzene-1-sulfonate (CAS 460051-49-4) is maintained as a commercial cas reference with formula C40H30Na4O16S4, molecular weight 986.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.