Research chemical
CAS Number: 116450-06-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11027736
Exact Mass
521.156697
InChIKey
VUDPJAWMOISBAC-JSNLTNBWSA-N
IUPAC Name
methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-methylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
SMILES String
COC(=O)[C@@]1(SC)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1
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.
Methyl-4,7,8,9-tetra-O-acetyl-2-thio-N-acetyl-?-D-neuraminicacid methyl ester is identified by CAS 116450-06-7, with molecular formula C21H31NO12S, molecular weight 521.5, InChIKey VUDPJAWMOISBAC-JSNLTNBWSA-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
35
H-bond acceptors
13
H-bond donors
1
Rotatable bonds
10
Ring count
1
Aromatic rings
0
Topological polar surface area
169.83 Ų
Computed LogP
-0.13
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
Methyl-4,7,8,9-tetra-O-acetyl-2-thio-N-acetyl-? -D-neuraminicacid methyl ester (CAS 116450-06-7) is maintained as a cataloged research chemical with formula C21H31NO12S, molecular weight 521. 50 g/mol, PubChem CID 11027736.
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.
Documentation needs
SDS signal word: Danger; hazard codes: H301, H311, H315, H319, H331, H335; 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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestAvailability and lead time review: Confirmed by RFQ
Shipment documentation review: By request