Lincomycin EP impurity B

CAT: 0926-IL171346-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-IL171346-02Size:1 mg

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CAS Number

37744-65-3

Smiles

CCC=C1CC (N (C1) C) C (=O) NC (C2C (C (C (C (O2) SC) O) O) O) C (C) O

Molecular Formula

C18H32N2O6S

Molecular Weight

404.52 g/mol

Shipping Conditions

Cool Pack

Controlled

Chemical Information

4'-Depropyl-4'-propylidenelincomycin

CAS Number	37744-65-3
PubChem CID	155928936
IUPAC Name	(2S)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylidenepyrrolidine-2-carboxamide
Molecular Formula	C18H32N2O6S
Molecular Weight	404.5
XLogP	-0.7
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	548

SMILES

CCC=C1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O

InChI

InChI=1S/C18H32N2O6S/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(26-16)27-4/h6,9,11-16,18,21-24H,5,7-8H2,1-4H3,(H,19,25)/t9-,11+,12-,13+,14-,15-,16-,18-/m1/s1

InChIKey

UCVQMGJWVIGCAG-NAEJGJIHSA-N

Chemical Structure

2D Structure

CAS: 37744-65-3

CID: 155928936

Formula: C18H32N2O6S

MW: 404.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	404.5
XLogP3	-0.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	404.19810792
Monoisotopic Mass	404.19810792
Topological Polar Surface Area	148 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	548
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
RM-L140340-01	Lincomycin Impurity 40
RM-L140336-01	Lincomycin Impurity 35
RM-L140337-01	Lincomycin Impurity 37
RM-L140341-01	Lincomycin Impurity 41
RM-L140349-01	Lincomycin Impurity 49
RM-L140348-01	Lincomycin Impurity 48
RM-L140347-01	Lincomycin Impurity 47
RM-L140350-01	Lincomycin Impurity 50
RM-L140343-01	Lincomycin Impurity 43
RM-L140346-01	Lincomycin Impurity 46

Lincomycin EP impurity B

Chemical Information

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