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102507-49-3 | 2-Azetidinone, 3-amino-4,4-dimethyl-1-(sulfooxy)-, (3S)-
CAS No: 102507-49-3 Catalog No: AG0007M2 MDL No:
Product Description
Catalog Number:
AG0007M2
Chemical Name:
2-Azetidinone, 3-amino-4,4-dimethyl-1-(sulfooxy)-, (3S)-
CAS Number:
102507-49-3
Molecular Formula:
C5H10N2O5S
Molecular Weight:
210.2083
IUPAC Name:
[(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate
InChI:
InChI=1S/C5H10N2O5S/c1-5(2)3(6)4(8)7(5)12-13(9,10)11/h3H,6H2,1-2H3,(H,9,10,11)/t3-/m1/s1
InChI Key:
CDGJTKZKKHLQQN-GSVOUGTGSA-N
SMILES:
N[C@@H]1C(=O)N(C1(C)C)OS(=O)(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.204g/mol
Monoisotopic Mass:
210.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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