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Lenampicillin-d5 Hydrochloride

CAT: 0572-TRC-L328102-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L328102-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1356847-85-2
Hazard Statement
No Data Available
Smiles
Cl.[2H]c1c([2H])c([2H])c([C@@H](N)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)OCC4=C(C)OC(=O)O4)c([2H])c1[2H]
Molecular Formula
C21 D5 H18 N3 O7 S . H Cl
Molecular Weight
502.98
InChI
InChI=1S/C21H23N3O7S.ClH/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11;/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25);1H/t13-,14-,15+,18-;/m1./s1/i4D,5D,6D,7D,8D;
Additionnal Information
IUPAC name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2S,5R,6R)-6-[[(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Lenampicillin-d5 Hydrochloride
CAS Number1356847-85-2
PubChem CID71749763
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2S,5R,6R)-6-[[(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Molecular FormulaC21H24ClN3O7S
Molecular Weight503.0
Topological Polar Surface Area163
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity867
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)OCC4=C(OC(=O)O4)C)N)[2H])[2H].Cl
InChI
InChI=1S/C21H23N3O7S.ClH/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11;/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25);1H/t13-,14-,15+,18-;/m1./s1/i4D,5D,6D,7D,8D;
InChIKey
FXXSETTYJSGMCR-ICDMZNHWSA-N
Chemical Structure
2D Structure
2D structure of Lenampicillin-d5 Hydrochloride
CAS: 1356847-85-2
CID: 71749763
Formula: C21H24ClN3O7S
MW: 503.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass502.1337327
Monoisotopic Mass502.1337327
Topological Polar Surface Area163 Ų
Heavy Atom Count33
Formal Charge0
Complexity867
Isotope Atom Count5
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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