MRS2690

Ligand id: 3337

Name: MRS2690

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 304.18
Molecular weight 626
XLogP -3.96
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
sodium (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl [({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(sodiooxy)phosphoryl)oxy]phosphonate
Synonyms
MRS 2690 | MRS-2690
Database Links
CAS Registry No. 7077-89-6 (source: Scifinder)
PubChem CID 73755042
Search Google for chemical match using the InChIKey TYVFMVSNSGMZPA-QBNUFUENSA-L
Search Google for chemicals with the same backbone TYVFMVSNSGMZPA
Search UniChem for chemical match using the InChIKey TYVFMVSNSGMZPA-QBNUFUENSA-L
Search UniChem for chemicals with the same backbone TYVFMVSNSGMZPA