Research chemical
CAS Number: 35988-26-2
![dipotassium;(1S,9R,13R,15R)-15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate molecular structure, CAS 35988-26-2](/structure-images/35988-26-2.png?v=struct-v3)
Product details
PubChem CID
36403
Exact Mass
846.12432
InChIKey
FPJGZZYAZUKPAD-NBKMCPERSA-L
SMILES String
C=C1[C@@H]2CCC3[C@@]4(C)CC(OC5OC(CO)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C5OC(=O)CC(C)C)CC(C(=O)[O-])(C(=O)[O-])C4CC[C@@]3(C2)[C@@H]1O.[K+].[K+]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
dipotassium;(1S,9R,13R,15R)-15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate is identified by CAS 35988-26-2, with molecular formula C31H44K2O18S2, molecular weight 847, InChIKey FPJGZZYAZUKPAD-NBKMCPERSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
Heavy atom count
53
H-bond acceptors
18
H-bond donors
4
Rotatable bonds
12
Ring count
5
Aromatic rings
0
Topological polar surface area
292.68 Ų
Computed LogP
-7.54
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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
dipotassium;(1S,9R,13R,15R)-15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11. 2. 1. 01,10.
Sourcing context
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Research use context
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