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28715-19-7 | Homocysteine, S-sulfo-
CAS No: 28715-19-7 Catalog No: AG002W81 MDL No:
Product Description
Catalog Number:
AG002W81
Chemical Name:
Homocysteine, S-sulfo-
CAS Number:
28715-19-7
Molecular Formula:
C4H9NO5S2
Molecular Weight:
215.2480
IUPAC Name:
(2S)-2-amino-4-sulfosulfanylbutanoic acid
InChI:
InChI=1S/C4H9NO5S2/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
InChI Key:
IFQXRWHTFQTDOH-VKHMYHEASA-N
SMILES:
OC(=O)[C@H](CCSS(=O)(=O)O)N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.238g/mol
Monoisotopic Mass:
214.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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