IPODATE CALCIUM

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Trade Names:
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 50S7W5M9ZZ

Structure
InChI Key HVZGHKKROPCBDE-HZIJXFFPSA-L
Smile CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Ca+2]
InChI
InChI=1S/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h2*5-6H,3-4H2,1-2H3,(H,18,19);/q;;+2/p-2/b2*16-6+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24CaI6N4O4
Molecular Weight 1233.98
AlogP 3.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 52.9
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0

Cross References

Resources Reference
ChEMBL CHEMBL2068725
FDA SRS 50S7W5M9ZZ
PubChem 14381
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