Research chemical
CAS Number: 79411-15-7
![1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B molecular structure, CAS 79411-15-7](/structure-images/79411-15-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
91632900
Exact Mass
797.344314
InChIKey
BLKJKIJFNJAQIZ-WXSDIHCXSA-N
IUPAC Name
(3S,9S,11R,18S,20R,21R,24S,25S,26S)-18-amino-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
SMILES String
C[C@@H](O)C1NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@@H](C)O)NC(=O)C([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
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.
1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B is identified by CAS 79411-15-7, with molecular formula C34H51N7O15, molecular weight 797.8, InChIKey BLKJKIJFNJAQIZ-WXSDIHCXSA-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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
56
H-bond acceptors
22
H-bond donors
15
Rotatable bonds
5
Ring count
4
Aromatic rings
1
Topological polar surface area
365.11 Ų
Computed LogP
-7.3
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
1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B (CAS 79411-15-7) is maintained as a commercial cas reference with formula C34H51N7O15, molecular weight 797. 80 g/mol, PubChem CID 91632900.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.