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Teicoplanin

CAT: 0013-GTR19153386-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153386-02Size:100 mg
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Description
Teicoplanin (CAS number: 61036-62-2), also known as Ristomycin A 34-O-[2- (acetylamino) -2-deoxy-.beta.-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[ (8-methyl-1-oxononyl) amino]-.beta.-D-glucopyranosyl]-42-O-.alpha.-D-mannopyranosyl-, is a compound with a molecular weight of 1877.64 Da and a purity of ≥900 ug/mg, bio assay.
CAS Number
61036-62-2
Purity
≥900 ug/mg, bio assay
Solubility
Soluble in water (10 mg/mL), ethanol, methanol, DMSO, DMF.
Smiles
CCCCCCCCCC (=O) N[C@@H]1[C@H] ([C@@H] ([C@H] (O[C@H]1Oc2c3cc4cc2Oc5ccc (cc5Cl) [C@H] ([C@H]6C (=O) N[C@@H] (c7cc (cc (c7-c8cc (ccc8O) [C@H] (C (=O) N6) NC (=O) [C@@H]4NC (=O) [C@@H]9c1cc (cc (c1) Oc1cc (ccc1O) [C@H] (C (=O) N[C@H] (Cc1ccc (c (c1) Cl) O3) C (=O) N9) N) O) O[C@@H]1[C@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O) O) O) C (=O) O) O[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O) NC (=O) C) CO) O) O
Molecular Formula
C78H77Cl2N9O31
Molecular Weight
1877.64
Storage Conditions
Storage Temp: Ambient
Notes
For research use only.
Other Product Names
Ristomycin A 34-O-[2- (acetylamino) -2-deoxy-.beta.-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[ (8-methyl-1-oxononyl) amino]-.beta.-D-glucopyranosyl]-42-O-.alpha.-D-mannopyranosyl-

Chemical Information

Teicoplanin

Teicoplanin is a glycopeptide antibiotic consisting of a mixture of several compounds, five major (named teicoplanin A2-1 through A2-5) and four minor (named teicoplanin RS-1 through RS-4). All teicoplanins share a same glycopeptide core, teicoplanin A3-1, but differ in the length and conformation of side chains attached to their β-D-glucosamine moiety.

CAS Number61036-62-2
PubChem CID133065662
IUPAC Name(1S,2R,19R,22R,34S,37R,40R,52S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-5,15-dichloro-64-[(2S,3R,4R,5S,6R)-3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
Molecular FormulaC88H97Cl2N9O33
Molecular Weight1879.7
XLogP0.5
Topological Polar Surface Area662
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count34
Rotatable Bond Count20
Heavy Atom Count132
Formal Charge0
Complexity3920
SMILES
CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)OC8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O
InChI
InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88?/m1/s1
InChIKey
BJNLLBUOHPVGFT-CAYRISATSA-N
Chemical Structure
2D Structure
2D structure of Teicoplanin
CAS: 61036-62-2
CID: 133065662
Formula: C88H97Cl2N9O33
MW: 1879.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1879.7
XLogP30.5
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count34
Rotatable Bond Count20
Exact Mass1877.5565820
Monoisotopic Mass1877.5565820
Topological Polar Surface Area662 Ų
Heavy Atom Count132
Formal Charge0
Complexity3920
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T002-100MGTeicoplanin

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