Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
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What are the key identifiers for 2-[4-[2-[6-[[(2S,4S)-4-[4-[[4-[(benzylamino)-phosphonomethyl]phenoxy]methyl]triazol-1-yl]-1-[2-(dibenzylamino)acetyl]pyrrolidine-2-carbonyl]amino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 3084147-81-6)?
2-[4-[2-[6-[[(2S,4S)-4-[4-[[4-[(benzylamino)-phosphonomethyl]phenoxy]methyl]triazol-1-yl]-1-[2-(dibenzylamino)acetyl]pyrrolidine-2-carbonyl]amino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid is identified by CAS 3084147-81-6, with molecular formula C60H81N12O13P, molecular weight 1209.3, InChIKey YPEWASXJDZUDKM-XAKGHLFPSA-N.
Can I request a COA for CAS 3084147-81-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 2-[4-[2-[6-[[(2S,4S)-4-[4-[[4-[(benzylamino)-phosphonomethyl]phenoxy]methyl]triazol-1-yl]-1-[2-(dibenzylamino)acetyl]pyrrolidine-2-carbonyl]amino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Identity & specification
Molecular formula
C60H81N12O13P
Molecular weight
1209.3 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request
For laboratory research and professional procurement workflows.
Show calculated structure fields
Heavy atom count
86
H-bond acceptors
25
H-bond donors
8
Rotatable bonds
31
Ring count
7
Aromatic rings
5
Topological polar surface area
316.11 Ų
Computed LogP
2.94
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
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.
Catalog Facts
Structural features
30 g/mol, PubChem CID 177805739.
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, phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
![2-[4-[2-[6-[[(2S,4S)-4-[4-[[4-[(benzylamino)-phosphonomethyl]phenoxy]methyl]triazol-1-yl]-1-[2-(dibenzylamino)acetyl]pyrrolidine-2-carbonyl]amino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid molecular structure, CAS 3084147-81-6](/structure-images/3084147-81-6.png?v=struct-v3)