200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 84295-08-9
84295-08-9 | Phosphorothioictriamide,N,N',N''-tris[2-(3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)ethyl]-,trisodium salt (9CI)
CAS No: 84295-08-9 Catalog No: AG004TI9 MDL No:
Product Description
Catalog Number:
AG004TI9
Chemical Name:
Phosphorothioictriamide,N,N',N''-tris[2-(3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)ethyl]-,trisodium salt (9CI)
CAS Number:
84295-08-9
Molecular Formula:
C21H27N9Na3O6PS
Molecular Weight:
633.5039
IUPAC Name:
trisodium;bis[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethylazanidyl]phosphinothioyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]azanide
InChI:
InChI=1S/C21H30N9O6PS.3Na/c1-13-10-16(31)28(19(34)25-13)7-4-22-37(38,23-5-8-29-17(32)11-14(2)26-20(29)35)24-6-9-30-18(33)12-15(3)27-21(30)36;;;/h10-12H,4-9H2,1-3H3,(H6,22,23,24,25,26,27,31,32,33,34,35,36,38);;;/q;3*+1/p-3
InChI Key:
XKMLXIVOHUBOIC-UHFFFAOYSA-K
SMILES:
Cc1cc(=O)n(c(=O)[nH]1)CC[N-]P(=S)([N-]CCn1c(=O)cc([nH]c1=O)C)[N-]CCn1c(=O)cc([nH]c1=O)C.[Na+].[Na+].[Na+]
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
633.124g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
633.507g/mol
Monoisotopic Mass:
633.124g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.