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85680-04-2 | methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate
CAS No: 85680-04-2 Catalog No: AG004Q5R MDL No:
Product Description
Catalog Number:
AG004Q5R
Chemical Name:
methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate
CAS Number:
85680-04-2
Molecular Formula:
C10H17NO5S
Molecular Weight:
263.3107
IUPAC Name:
methyl (2R)-2-acetamido-3-(3-methoxy-3-oxopropyl)sulfanylpropanoate
InChI:
InChI=1S/C10H17NO5S/c1-7(12)11-8(10(14)16-3)6-17-5-4-9(13)15-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChI Key:
UUWIGRAKKYJSQT-QMMMGPOBSA-N
SMILES:
COC(=O)CCSC[C@@H](C(=O)OC)NC(=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.308g/mol
Monoisotopic Mass:
263.083g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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