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86088-59-7 | (2S,3R)-Benzyl 2-amino-3-hydroxybutanoate oxalate(2:1)
CAS No: 86088-59-7 Catalog No: AG004P3L MDL No:
Product Description
Catalog Number:
AG004P3L
Chemical Name:
(2S,3R)-Benzyl 2-amino-3-hydroxybutanoate oxalate(2:1)
CAS Number:
86088-59-7
Molecular Formula:
C24H35N2O10
Molecular Weight:
510.5342
IUPAC Name:
benzyl (2S,3R)-2-amino-3-hydroxybutanoate;oxalic acid
InChI:
InChI=1S/2C11H15NO3.C2H2O4/c2*1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;3-1(4)2(5)6/h2*2-6,8,10,13H,7,12H2,1H3;(H,3,4)(H,5,6)/t2*8-,10+;/m11./s1
InChI Key:
ZJXJCFJXVAXCRR-FFKFEZPRSA-N
SMILES:
C[C@H]([C@@H](C(=O)OCc1ccccc1)N)O.C[C@H]([C@@H](C(=O)OCc1ccccc1)N)O.O[H]=C(C(=O)O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
508.206g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
508.524g/mol
Monoisotopic Mass:
508.206g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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