Dipans

5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid

Also Known As: Dipans|N-(2,4-Diphosphobenzyl)-1-amino-5-naphthalenesulfonic acid|5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid|5-{[2,4-bis(phosphonooxy)benzyl]amino}naphthalene-1-sulfonic acid|1-Naphthalenesulfonic acid, 5-(((2,4-bis(phosphonooxy)phenyl)methyl)amino)-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-|5-({[2,4-Bis(phosphonooxy)phenyl]methyl}amino)naphthalene-1-sulfonic acid

Molecular Formula	C17H17NO11P2S
Molecular Weight	504.99976 g/mol
LogP	0.1
Topological Polar Surface Area	208.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	504.99976
Monoisotopic Mass	504.99976
Heavy Atoms	32
Complexity	838.0

Chemical Identifiers

CAS Number	66731-46-2
SMILES	C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCC3=C(C=C(C=C3)OP(=O)(O)O)OP(=O)(O)O
InChIKey	UFSQFZYUGSALND-UHFFFAOYSA-N