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159957-07-0 | D-Serine, N-acetyl-D-alanyl- (9CI)
CAS No: 159957-07-0 Catalog No: AG001RJE MDL No:
Product Description
Catalog Number:
AG001RJE
Chemical Name:
D-Serine, N-acetyl-D-alanyl- (9CI)
CAS Number:
159957-07-0
Molecular Formula:
C8H14N2O5
Molecular Weight:
218.2072
IUPAC Name:
(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C8H14N2O5/c1-4(9-5(2)12)7(13)10-6(3-11)8(14)15/h4,6,11H,3H2,1-2H3,(H,9,12)(H,10,13)(H,14,15)/t4-,6-/m1/s1
InChI Key:
OHDMDPKNKIIBFQ-INEUFUBQSA-N
SMILES:
OC[C@H](C(=O)O)NC(=O)[C@H](NC(=O)C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
218.209g/mol
Monoisotopic Mass:
218.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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