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Sulbactam-D5

CAT: 1299-RM-S210229-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S210229-01Size:10 mg
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CAS Number
1322880-00-1
Synonyms
(2S,5R) -3-methyl-3- (methyl-d3) -7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic-6,6-d2 acid 4,4-dioxide
Molecular Formula
C8H6D5NO5S
Molecular Weight
238.27
Target Alternative Name
Sulbactam
Product Name Synonym
(2S,5R) -3-methyl-3- (methyl-d3) -7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic-6,6-d2 acid 4,4-dioxide

Chemical Information

Sulbactam-d5
CAS Number1322880-00-1
PubChem CID71752296
IUPAC Name(2S,5R)-6,6-dideuterio-3-methyl-4,4,7-trioxo-3-(trideuteriomethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC8H11NO5S
Molecular Weight238.27
XLogP-1
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity446
SMILES
[2H]C1([C@@H]2N(C1=O)[C@H](C(S2(=O)=O)(C)C([2H])([2H])[2H])C(=O)O)[2H]
InChI
InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1/i1D3,3D2/t5-,6+,8?
InChIKey
FKENQMMABCRJMK-MDPIHFRDSA-N
Chemical Structure
2D Structure
2D structure of Sulbactam-d5
CAS: 1322880-00-1
CID: 71752296
Formula: C8H11NO5S
MW: 238.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.27
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass238.06717735
Monoisotopic Mass238.06717735
Topological Polar Surface Area100 Ų
Heavy Atom Count15
Formal Charge0
Complexity446
Isotope Atom Count5
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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