Research chemical

5'-Xanthylic acid

CAS Number: 523-98-8

Chemical structure
5'-Xanthylic acid molecular structure, CAS 523-98-8

Product details

Identity & specification

Molecular formula
C10H13N4O9P
Molecular weight
364.21 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

73323

Exact Mass

364.042015

InChIKey

DCTLYFZHFGENCW-UUOKFMHZSA-N

IUPAC Name

[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

SMILES String

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

24

H-bond acceptors

13

H-bond donors

6

Rotatable bonds

4

Ring count

3

Aromatic rings

2

Topological polar surface area

199.99 Ų

Computed LogP

-2.86

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

5'-Xanthylic acid (CAS 523-98-8) is maintained as a commercial cas reference with formula C10H13N4O9P, molecular weight 364. 21 g/mol, PubChem CID 73323.

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.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksLigand ResearchResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement questions

What are the key identifiers for 5'-Xanthylic acid (CAS 523-98-8)?

5'-Xanthylic acid is identified by CAS 523-98-8, with molecular formula C10H13N4O9P, molecular weight 364.21, InChIKey DCTLYFZHFGENCW-UUOKFMHZSA-N.

Can I request a COA for CAS 523-98-8?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 5'-Xanthylic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 523-98-8 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.