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125572-95-4 | Glycine, N,N'-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate (1:1), rel-
CAS No: 125572-95-4 Catalog No: AG000NWR MDL No:MFCD00149243
Product Description
Catalog Number:
AG000NWR
Chemical Name:
Glycine, N,N'-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate (1:1), rel-
CAS Number:
125572-95-4
Molecular Formula:
C14H24N2O9
Molecular Weight:
364.3484
MDL Number:
MFCD00149243
IUPAC Name:
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
InChI:
InChI=1S/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1
InChI Key:
VASZYFIKPKYGNC-DHTOPLTISA-N
SMILES:
OC(=O)CN([C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O)CC(=O)O.O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
364.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
364.351g/mol
Monoisotopic Mass:
364.148g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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