Structure

InChI Key ZFWBIDWLGKGBFH-GFJAXXHFSA-L
Smile N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.[Cl-].[Cl-].[K+].[K+]
InChI
InChI=1S/2C6H13NO5.2ClH.2K.H2O4S/c2*7-3-5(10)4(9)2(1-8)12-6(3)11;;;;;1-5(2,3)4/h2*2-6,8-11H,1,7H2;2*1H;;;(H2,1,2,3,4)/q;;;;2*+1;/p-2/t2*2-,3-,4-,5-,6?;;;;;/m11...../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H28Cl2K2N2O14S
Molecular Weight 605.53
AlogP -3.25
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 116.17
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL3989618
FDA SRS 15VQ11I66N
PubChem 76965765