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1007881-21-1 | L-Threonine, N-(methoxycarbonyl)-O-methyl-
CAS No: 1007881-21-1 Catalog No: AG0002VP MDL No:
Product Description
Catalog Number:
AG0002VP
Chemical Name:
L-Threonine, N-(methoxycarbonyl)-O-methyl-
CAS Number:
1007881-21-1
Molecular Formula:
C7H13NO5
Molecular Weight:
191.1818
IUPAC Name:
(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C7H13NO5/c1-4(12-2)5(6(9)10)8-7(11)13-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t4-,5+/m1/s1
InChI Key:
PAISMPKJXOZRKI-UHNVWZDZSA-N
SMILES:
COC(=O)N[C@@H]([C@H](OC)C)C(=O)O
EC Number:
800-213-6
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
191.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.183g/mol
Monoisotopic Mass:
191.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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