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K 41

CAT: 0013-GTR19199103Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199103Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
K 41 is a polycyclic polyether antibiotic isolated from Streptomyces hygroscopicus. It is used in research to study ion transport and as a tool compound in microbiology and agricultural science, with applications in both in vitro and in vivo experimental models.
CAS Number
53026-37-2
Field of Research
Infectious Disease & Virology
Smiles
[H][C@@]1 (CC[C@@] ([H]) (O1) [C@@]1 ([H]) O[C@] (C) (O) [C@H] (C) [C@@H] (O[C@H]2CC[C@H] (OC) [C@@H] (C) O2) [C@@H]1C) [C@]1 ([H]) CC[C@@] ([H]) (O1) [C@@]1 (C) O[C@]2 (O[C@H] (C[C@@H]3O[C@] (O) ([C@@H] (O) C (O) =O) [C@@H] (C) [C@H] (OC) [C@@]3 (C) OC) C[C@@H] (OC) [C@H]2C) [C@H] (C) [C@H]1OC
Molecular Formula
C48H82O18
Molecular Weight
947.166
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antibiotic K 41

K-41A is a C-glycosyl compound.

CAS Number53026-37-2
PubChem CID3085028
IUPAC Name(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-2-hydroxy-6-[[(2R,3R,4R,5S,6R,7R,9S)-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyloxan-2-yl]acetic acid
Molecular FormulaC48H82O18
Molecular Weight947.2
XLogP3.9
Topological Polar Surface Area218
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count14
Heavy Atom Count66
Formal Charge0
Complexity1660
SMILES
C[C@@H]1[C@H](O[C@]([C@@H]([C@H]1O[C@H]2CC[C@@H]([C@H](O2)C)OC)C)(C)O)[C@H]3CC[C@@H](O3)[C@@H]4CC[C@@H](O4)[C@@]5([C@@H]([C@H]([C@@]6(O5)[C@@H]([C@@H](C[C@H](O6)C[C@H]7[C@]([C@H]([C@@H]([C@](O7)([C@H](C(=O)O)O)O)C)OC)(C)OC)OC)C)C)OC)C
InChI
InChI=1S/C48H82O18/c1-23-38(62-37-20-18-30(54-10)28(6)59-37)25(3)46(9,52)65-39(23)33-16-15-31(60-33)32-17-19-35(61-32)45(8)42(57-13)27(5)48(66-45)24(2)34(55-11)21-29(63-48)22-36-44(7,58-14)41(56-12)26(4)47(53,64-36)40(49)43(50)51/h23-42,49,52-53H,15-22H2,1-14H3,(H,50,51)/t23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,44-,45+,46-,47-,48-/m0/s1
InChIKey
QFHLVPYVNFSTBE-SMAIMEEGSA-N
Chemical Structure
2D Structure
2D structure of Antibiotic K 41
CAS: 53026-37-2
CID: 3085028
Formula: C48H82O18
MW: 947.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight947.2
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count14
Exact Mass946.55011576
Monoisotopic Mass946.55011576
Topological Polar Surface Area218 Ų
Heavy Atom Count66
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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