Research chemical
Carbanicotinamide adenine dinucleotide
CAS Number: 112345-60-5
Product details
Identity & specification
- Molecular formula
- C22H29N7O13P2
- Molecular weight
- 661.5 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
163883
Exact Mass
661.129858
InChIKey
DGPLSUKWXXSBCU-VGXGLJSLSA-N
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(1R,2R,3S,4R)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxycyclopentyl]methyl phosphate
SMILES String
NC(=O)c1ccc[n+]([C@@H]2C[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
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
44
H-bond acceptors
20
H-bond donors
9
Rotatable bonds
11
Ring count
5
Aromatic rings
3
Topological polar surface area
311.86 Ų
Computed LogP
-2.98
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
Carbanicotinamide adenine dinucleotide (CAS 112345-60-5) is maintained as a cataloged research chemical with formula C22H29N7O13P2, molecular weight 661. 50 g/mol, PubChem CID 163883.
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; structure-derived tags include nitrogen-containing heterocycle, phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
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
Related Catalog Entries
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 Carbanicotinamide adenine dinucleotide (CAS 112345-60-5)?
Carbanicotinamide adenine dinucleotide is identified by CAS 112345-60-5, with molecular formula C22H29N7O13P2, molecular weight 661.5, InChIKey DGPLSUKWXXSBCU-VGXGLJSLSA-N.
Can I request a COA for CAS 112345-60-5?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Carbanicotinamide adenine dinucleotide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 112345-60-5 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.