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80082-48-0 | tert-Butyl ((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamate
CAS No: 80082-48-0 Catalog No: AG005DC8 MDL No:MFCD08063870
Product Description
Catalog Number:
AG005DC8
Chemical Name:
tert-Butyl ((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamate
CAS Number:
80082-48-0
Molecular Formula:
C9H18N2O4
Molecular Weight:
218.2502
MDL Number:
MFCD08063870
IUPAC Name:
tert-butyl N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C9H18N2O4/c1-5(12)6(7(10)13)11-8(14)15-9(2,3)4/h5-6,12H,1-4H3,(H2,10,13)(H,11,14)/t5-,6+/m1/s1
InChI Key:
YDGNNSHWASGTDO-RITPCOANSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)N)[C@H](O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.253g/mol
Monoisotopic Mass:
218.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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