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115952-49-3 | 4-Thiazolidinecarboxylic acid, 2-[2-[[amino[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]-
CAS No: 115952-49-3 Catalog No: AG000H7E MDL No:
Product Description
Catalog Number:
AG000H7E
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-[2-[[amino[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]-
CAS Number:
115952-49-3
Molecular Formula:
C10H20Cl2N3O4PS
Molecular Weight:
380.2283
IUPAC Name:
2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C10H20Cl2N3O4PS/c11-2-4-15(5-3-12)20(13,18)19-6-1-9-14-8(7-21-9)10(16)17/h8-9,14H,1-7H2,(H2,13,18)(H,16,17)
InChI Key:
KEPIZHRUELMLLO-UHFFFAOYSA-N
SMILES:
ClCCN(P(=O)(OCCC1SCC(N1)C(=O)O)N)CCCl
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.221g/mol
Monoisotopic Mass:
379.029g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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