NF 546
Product Code
TRC-N392515-50MG
CAS Number
Product Format
Neat
Molecular Formula
C47 H48 N6 O17 P4 . 4Na
Molecular Weight
1184.76814
Product Categories
Product Information
Chemical Data
Analyte Name
P,P',P'',P'''-[Carbonylbis(imino-3,1-phenylenecarbonylimi?no(4-methyl-3,1-phenylene)carbonylimino-1,2,4-?benzenetriylbis(meth?ylene))]tetrakis-phosphonic Acid Sodium Salt
CAS Number
1006028-37-0
Molecular Formula
C47 H48 N6 O17 P4 . 4Na
Molecular Weight
1184.76814
Accurate Mass
1184.1617
SMILES
O=P(CC1=C(NC(C2=CC(NC(C3=CC(NC(NC4=CC(C(NC5=CC(C(NC6=C(CP(O[Na])(O[Na])=O)C=C(CP(O)(O)=O)C=C6)=O)=CC=C5C)=O)=CC=C4)=O)=CC=C3)=O)=C(C=C2)C)=O)C=CC(CP(O)(O)=O)=C1)(O[Na])O[Na]
InChI
InChI=1S/C47H48N6O17P4.4Na/c1-27-9-13-33(45(56)50-39-15-11-29(23-71(59,60)61)17-35(39)25-73(65,66)67)21-41(27)52-43(54)31-5-3-7-37(19-31)48-47(58)49-38-8-4-6-32(20-38)44(55)53-42-22-34(14-10-28(42)2)46(57)51-40-16-12-30(24-72(62,63)64)18-36(40)26-74(68,69)70;;;;/h3-22H,23-26H2,1-2H3,(H,50,56)(H,51,57)(H,52,54)(H,53,55)(H2,48,49,58)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70);;;;
IUPAC
[2-[[3-[[3-[[3-[[5-[[2,4-bis(phosphonomethyl)phenyl]carbamoyl]-2-methyl-phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methyl-benzoyl]amino]-5-(phosphonomethyl)phenyl]methylphosphonic acid;sodium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat