3-(5-amino-1H-1,3-benzodiazol-2-yl)-2,3-dihydroxypropanoic acid dihydrochloride

3-(5-amino-1H-1,3-benzodiazol-2-yl)-2,3-dihydroxypropanoic acid dihydrochloride

CAS: 1158752-05-6

Formula: C10H13Cl2N3O4

SMILES: Cl.Cl.NC1=CC=C2NC(=NC2=C1)C(O)C(O)C(O)=O

IUPAC: 3-(5-amino-1H-1,3-benzodiazol-2-yl)-2,3-dihydroxypropanoic acid dihydrochloride

InChI: InChI=1/C10H11N3O4.2ClH/c11-4-1-2-5-6(3-4)13-9(12-5)7(14)8(15)10(16)17;;/h1-3,7-8,14-15H,11H2,(H,12,13)(H,16,17);2*1H

Composition: C (38.73%), H (4.23%), Cl (22.86%), N (13.55%), O (20.64%)

Molar Mass: 310.13

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	309.0283113
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
InChIKey	ATZKJIANXSPWGA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.68
Topological Polar Surface Area	132.46
Polarizability	23.11
Ring Count	2
Rotatable Bond Count	3

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