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Spiramycin III

CAT: 0013-GTR19199235Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199235Size:5 mg
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Description
Spiramycin III is a macrolide antibiotic belonging to the erythromycin structural class. It is utilized in research for studying antibacterial mechanisms and efficacy, with applications in both in vitro susceptibility testing and in vivo models of bacterial infection.
CAS Number
24916-52-7
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
CCC (=O) O[C@@H]1CC (=O) O[C@H] (C) C\C=C\C=C\[C@H] (O[C@H]2CC[C@@H] ([C@@H] (C) O2) N (C) C) [C@H] (C) C[C@H] (CC=O) [C@H] (O[C@@H]2O[C@H] (C) [C@@H] (O[C@H]3C[C@@] (C) (O) [C@@H] (O) [C@H] (C) O3) [C@@H] ([C@H]2O) N (C) C) [C@H]1OC |t:13,15|
Molecular Formula
C46H78N2O15
Molecular Weight
899.129
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

spiramycin III

Spiramycin III is an amino oligosaccharide.

CAS Number24916-52-7
PubChem CID53297409
IUPAC Name[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Molecular FormulaC46H78N2O15
Molecular Weight899.1
XLogP3.2
Topological Polar Surface Area201
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Heavy Atom Count63
Formal Charge0
Complexity1500
SMILES
CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C)C
InChI
InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1
InChIKey
HSZLKTCKAYXVBX-LYIMTGTFSA-N
Chemical Structure
2D Structure
2D structure of spiramycin III
CAS: 24916-52-7
CID: 53297409
Formula: C46H78N2O15
MW: 899.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight899.1
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Exact Mass898.54021979
Monoisotopic Mass898.54021979
Topological Polar Surface Area201 Ų
Heavy Atom Count63
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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