Avibactam Impurity 64

CAT: 1299-RM-A220390-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A220390-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2064219-25-4

Synonyms

(2S,5S) -2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl hydrogen sulfate

Molecular Formula

C7H11N3O6S

Molecular Weight

265.24

Target Alternative Name

Avibactam

Product Name Synonym

(2S,5S) -2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl hydrogen sulfate

Chemical Information

985DS5Bkb2

CAS Number	2064219-25-4
PubChem CID	21057938
IUPAC Name	[(2S,5S)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular Formula	C7H11N3O6S
Molecular Weight	265.25
XLogP	-1.8
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	457

SMILES

C1C[C@H](N2C[C@H]1N(C2=O)OS(=O)(=O)O)C(=O)N

InChI

InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5-/m0/s1

InChIKey

NDCUAPJVLWFHHB-WHFBIAKZSA-N

Chemical Structure

2D Structure

CAS: 2064219-25-4

CID: 21057938

Formula: C7H11N3O6S

MW: 265.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.25
XLogP3	-1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	265.03685625
Monoisotopic Mass	265.03685625
Topological Polar Surface Area	139 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes