1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C8H13NO7P2.Na/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16;/h1-4,10H,5,9H2,(H2,11,12,13)(H2,14,15,16);

2.1.2 InChI Key

TXBKCFLRRVMFFE-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 172796-84-8

2. Schembl18107090

3. Dtxsid70714748

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₃NNaO₇P₂
Molecular Weight	320.13 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	161
Heavy Atom Count	19
Formal Charge	0
Complexity	359
Isotope Atom Count	0
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

172796-84-8