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114075-81-9 | Glycinamide, glycyl-N-(4-hydroxy-4,4-diphosphonobutyl)-
CAS No: 114075-81-9 Catalog No: AG000AHN MDL No:
Product Description
Catalog Number:
AG000AHN
Chemical Name:
Glycinamide, glycyl-N-(4-hydroxy-4,4-diphosphonobutyl)-
CAS Number:
114075-81-9
Molecular Formula:
C8H19N3O9P2
Molecular Weight:
363.1987
IUPAC Name:
[4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid
InChI:
InChI=1S/C8H19N3O9P2/c9-4-6(12)11-5-7(13)10-3-1-2-8(14,21(15,16)17)22(18,19)20/h14H,1-5,9H2,(H,10,13)(H,11,12)(H2,15,16,17)(H2,18,19,20)
InChI Key:
YLKBLHKFHXKPLU-UHFFFAOYSA-N
SMILES:
NCC(=O)NCC(=O)NCCCC(P(=O)(O)O)(P(=O)(O)O)O
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
363.2g/mol
Monoisotopic Mass:
363.06g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.8
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