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98930-06-4 | O-Sulfo-L-tyrosine sodium salt
CAS No: 98930-06-4 Catalog No: AG0036V1 MDL No:
Product Description
Catalog Number:
AG0036V1
Chemical Name:
O-Sulfo-L-tyrosine sodium salt
CAS Number:
98930-06-4
Molecular Formula:
C9H10NNaO6S
Molecular Weight:
283.2336
IUPAC Name:
sodium;(2S)-2-amino-3-(4-sulfooxyphenyl)propanoate
InChI:
InChI=1S/C9H11NO6S.Na/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15;/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15);/q;+1/p-1/t8-;/m0./s1
InChI Key:
BSGUVYQJXDWSSQ-QRPNPIFTSA-M
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)[O-])N.[Na+]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
283.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.23g/mol
Monoisotopic Mass:
283.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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