Research chemical
CAS Number: 4336-46-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
86222880
Exact Mass
463.093519
InChIKey
RTONSOUBEUPEOS-QLRMNKGWSA-N
IUPAC Name
1-(diaminomethylidene)-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea;2,4,6-trinitrophenol
SMILES String
NC(N)=NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
1-(Diaminomethylene)-3-(beta-D-ribofuranosyl)urea picrate is identified by CAS 4336-46-3, with molecular formula C13H17N7O12, molecular weight 463.31, InChIKey RTONSOUBEUPEOS-QLRMNKGWSA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
32
H-bond acceptors
19
H-bond donors
9
Rotatable bonds
5
Ring count
2
Aromatic rings
1
Topological polar surface area
313.07 Ų
Computed LogP
-2.47
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-(Diaminomethylene)-3-(beta-D-ribofuranosyl)urea picrate (CAS 4336-46-3) is maintained as a commercial cas reference with formula C13H17N7O12, molecular weight 463. 31 g/mol, PubChem CID 86222880.
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.