Structure

InChI Key FATUQANACHZLRT-KMRXSBRUSA-L
Smile O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]
InChI
InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26CaO16
Molecular Weight 490.42
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Related Entries

Parent

Cross References

Resources Reference
CAS NUMBER 29039-00-7
ChEBI 3314
ChEMBL CHEMBL1237066
DrugBank DB00326
FDA SRS L11651398J
PharmGKB PA164746233