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115331-10-7 | L-Cysteine, S-[5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl]-
CAS No: 115331-10-7 Catalog No: AG000GMN MDL No:
Product Description
Catalog Number:
AG000GMN
Chemical Name:
L-Cysteine, S-[5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl]-
CAS Number:
115331-10-7
Molecular Formula:
C11H16N2O5S
Molecular Weight:
288.3201
IUPAC Name:
(2R)-2-amino-3-[5-(2-amino-1-hydroxyethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid
InChI:
InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8?/m0/s1
InChI Key:
ZELSWMBFRRNKHX-UUEFVBAFSA-N
SMILES:
NC[C@@H](c1cc(SC[C@@H](C(=O)O)N)c(c(c1)O)O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
288.318g/mol
Monoisotopic Mass:
288.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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