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Lincomycin Sulfone

CAT: 1596-AR-L07410-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L07410-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
198080-68-1
Synonyms
(2S,4R) -N- ((1R,2R) -2-hydroxy-1- ((2R,3R,4S,5R,6R) -3,4,5-trihydroxy-6- (methylsulfonyl) tetrahydro-2H-pyran-2-yl) propyl) -1-methyl-4-propylpyrrolidine-2-carboxamide
Molecular Formula
C18H34N2O8S
Molecular Weight
438.54
API Name
Lincomycin

Chemical Information

Lincomycin Sulfone

structure in first source

CAS Number198080-68-1
PubChem CID102425758
IUPAC Name(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfonyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
Molecular FormulaC18H34N2O8S
Molecular Weight438.5
XLogP-0.5
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity669
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)S(=O)(=O)C)O)O)O)[C@@H](C)O
InChI
InChI=1S/C18H34N2O8S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(28-16)29(4,26)27/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
InChIKey
ZPFDTLNOBUHOKG-KIDUDLJLSA-N
Chemical Structure
2D Structure
2D structure of Lincomycin Sulfone
CAS: 198080-68-1
CID: 102425758
Formula: C18H34N2O8S
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP3-0.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass438.20358722
Monoisotopic Mass438.20358722
Topological Polar Surface Area165 Ų
Heavy Atom Count29
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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