Research chemical
CAS Number: 104542-46-3
Product details
PubChem CID
175974
Exact Mass
696.278191
InChIKey
RVYIFZVNJLDNAV-VSYBRGMMSA-N
IUPAC Name
(3R)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
SMILES String
C[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)c3ccc5c(c3C4=O)C(=O)C[C@](C)(O)C5)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(3R)-9-(2,6-Dideoxy-3-O-((2S,5S,6S)-5-((2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione is identified by CAS 104542-46-3, with molecular formula C37H44O13, molecular weight 696.7, InChIKey RVYIFZVNJLDNAV-VSYBRGMMSA-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.
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
50
H-bond acceptors
13
H-bond donors
5
Rotatable bonds
5
Ring count
7
Aromatic rings
2
Topological polar surface area
198.51 Ų
Computed LogP
2.41
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
70 g/mol, PubChem CID 175974.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.