Research chemical
CAS Number: 802590-64-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
10439981
Exact Mass
605.829679
InChIKey
HEDKSUBRULAYNO-UHFFFAOYSA-N
IUPAC Name
4,6,11,13,18,20-hexahydroxy-3,5,7,10,12,14,17,19,21-nonaoxa-4lambda5,6lambda5,11lambda5,13lambda5,18lambda5,20lambda5-hexaphosphatetracyclo[14.5.0.02,8.09,15]henicosane 4,6,11,13,18,20-hexaoxide
SMILES String
O=P1(O)OC2C3OP(=O)(O)OP(=O)(O)OC3C3OP(=O)(O)OP(=O)(O)OC3C2OP(=O)(O)O1
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.
Myo-inositol trispyrophosphate is identified by CAS 802590-64-3, with molecular formula C6H12O21P6, molecular weight 605.99, InChIKey HEDKSUBRULAYNO-UHFFFAOYSA-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
33
H-bond acceptors
21
H-bond donors
6
Rotatable bonds
0
Ring count
4
Aromatic rings
0
Topological polar surface area
306.87 Ų
Computed LogP
0
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
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
Myo-inositol trispyrophosphate (CAS 802590-64-3) is maintained as a commercial cas reference with formula C6H12O21P6, molecular weight 605. 99 g/mol, PubChem CID 10439981.
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 phosphine-ligand motif.
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.