61792-09-4
PENTASODIUM PENTAHYDROGEN[[(PHOSPHONATOMETHYL)IMINO]BIS[ETHANE-2,1-DIYLNITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONATE
NamePENTASODIUM PENTAHYDROGEN[[(PHOSPHONATOMETHYL)IMINO]BIS[ETHANE-2,1-DIYLNITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONATE
FormulaC9 H23 N3 O15 P5 . 5 Na
1Identification
【Name】
PENTASODIUM PENTAHYDROGEN[[(PHOSPHONATOMETHYL)IMINO]BIS[ETHANE-2,1-DIYLNITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONATE
【CAS】
【MDL】
MFCD03453638
【English Synonyms】
【Formula】
C9 H23 N3 O15 P5 . 5 Na
【MolWeight】
683.107
【Inchi】
InChI=1S/C9H28N3O15P5.5Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;/q;5*+1/p-5
【InChIKey】
InChIKey=QRIAWZKHYOWOAR-UHFFFAOYSA-I
【SMILES】
C(CN(CP(=O)(O)[O-])CP(=O)(O)[O-])N(CCN(CP(=O)(O)[O-])CP(=O)(O)[O-])CP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
【MOL File】
PENTASODIUM PENTAHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:18
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PENTASODIUM PENTAHYDROGEN[[(PHOSPHONATOMETHYL)IMINO]BIS[ETHANE-2,1-DIYLNITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONATE.cml