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Sch 29482

CAT: 0013-GTR19196569-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196569-03Size:100 mg
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Description
Sch 29482
CAS Number
77646-83-4
Field of Research
Infectious Disease & Virology, Signal Transduction
Smiles
C (O) (=O) C=1N2[C@@] ([C@@] ([C@@H] (C) O) (C2=O) [H]) (SC1SCC) [H]
Molecular Formula
C10H13NO4S2
Molecular Weight
275.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sch 29482

penem antibiotic; bactericidal & stable to beta-lactamases; structure given in first source

CAS Number77646-83-4
PubChem CID13120881
IUPAC Name(5R,6S)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC10H13NO4S2
Molecular Weight275.3
XLogP1.2
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity409
SMILES
CCSC1=C(N2[C@H](S1)[C@H](C2=O)[C@@H](C)O)C(=O)O
InChI
InChI=1S/C10H13NO4S2/c1-3-16-10-6(9(14)15)11-7(13)5(4(2)12)8(11)17-10/h4-5,8,12H,3H2,1-2H3,(H,14,15)/t4-,5+,8-/m1/s1
InChIKey
LDVDKTLZRGWFID-GLDDHUGJSA-N
Chemical Structure
2D Structure
2D structure of Sch 29482
CAS: 77646-83-4
CID: 13120881
Formula: C10H13NO4S2
MW: 275.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.3
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass275.02860024
Monoisotopic Mass275.02860024
Topological Polar Surface Area128 Ų
Heavy Atom Count17
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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