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125136-34-7 | L-Cysteine, S-1H-purin-6-yl- (9CI)
CAS No: 125136-34-7 Catalog No: AG000N8P MDL No:
Product Description
Catalog Number:
AG000N8P
Chemical Name:
L-Cysteine, S-1H-purin-6-yl- (9CI)
CAS Number:
125136-34-7
Molecular Formula:
C8H9N5O2S
Molecular Weight:
239.2544
IUPAC Name:
(2R)-2-amino-3-(7H-purin-6-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C8H9N5O2S/c9-4(8(14)15)1-16-7-5-6(11-2-10-5)12-3-13-7/h2-4H,1,9H2,(H,14,15)(H,10,11,12,13)/t4-/m0/s1
InChI Key:
XGNASSAYQHESTL-BYPYZUCNSA-N
SMILES:
OC(=O)[C@H](CSc1[nH]cnc2c1ncn2)N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.253g/mol
Monoisotopic Mass:
239.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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