1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

phosphono dihydrogen phosphate;technetium-99

2.1.2 InChI

InChI=1S/H4O7P2.Tc/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);/i;1+1

2.1.3 InChI Key

XKOTYHZFBGQINA-IEOVAKBOSA-N

2.1.4 Canonical SMILES

OP(=O)(O)OP(=O)(O)O.[Tc]

2.1.5 Isomeric SMILES

OP(=O)(O)OP(=O)(O)O.[99Tc]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Moli000845

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	H₄O₇P₂Tc
Molecular Weight	276.88 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	276.849476 g/mol
Monoisotopic Mass	276.849476 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Moli000845