Structure

InChI Key JBVWKTQYMFTKMW-MSQVLRTGSA-N
Smiles CC(O)CN(C)C.CC(O)CN(C)C.CC(O)CN(C)C.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C10H12N4O5.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;/m1.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C52H78N10O17
Molecular Weight 1115.25
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

Cross References

Resources Reference
ChEMBL CHEMBL3833405
FDA SRS W1SO0V223F
PubChem 135449284
ChEMBL CHEMBL3833327
FDA SRS W1SO0V223F
PubChem 135449284
SureChEMBL SCHEMBL1649462