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141527-77-7 | D-Serine, phenylmethyl ester, benzenesulfonate (1:1)
CAS No: 141527-77-7 Catalog No: AG001GK2 MDL No:
Product Description
Catalog Number:
AG001GK2
Chemical Name:
D-Serine, phenylmethyl ester, benzenesulfonate (1:1)
CAS Number:
141527-77-7
Molecular Formula:
C16H19NO6S
Molecular Weight:
353.3902
IUPAC Name:
benzenesulfonic acid;benzyl (2R)-2-amino-3-hydroxypropanoate
InChI:
InChI=1S/C10H13NO3.C6H6O3S/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;7-10(8,9)6-4-2-1-3-5-6/h1-5,9,12H,6-7,11H2;1-5H,(H,7,8,9)/t9-;/m1./s1
InChI Key:
AJKFQGHWMCPNTI-SBSPUUFOSA-N
SMILES:
OS(=O)(=O)c1ccccc1.OC[C@H](C(=O)OCc1ccccc1)N
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
353.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.389g/mol
Monoisotopic Mass:
353.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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