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8-Hydroxyerythromycin A

CAT: 0013-GTR19258637-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258637-02Size:10 mg
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Description
8-Hydroxyerythromycin A is a semi-synthetic antibiotic with antibacterial activity.
CAS Number
51433-35-3
Field of Research
Infectious Disease & Virology
Smiles
O=C1OC (CC) C (O) (C) C (O) C (C (=O) C (O) (C) CC (O) (C) C (OC2OC (C) CC (N (C) C) C2O) C (C) C (OC3OC (C) C (O) C (OC) (C) C3) C1C) C
Molecular Formula
C37H67NO14
Molecular Weight
749.926
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,9,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CAS Number51433-35-3
PubChem CID13041198
IUPAC Name6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,9,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular FormulaC37H67NO14
Molecular Weight749.9
XLogP1.8
Topological Polar Surface Area214
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1220
SMILES
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)(C)O)C)O)(C)O
InChI
InChI=1S/C37H67NO14/c1-14-24-37(10,46)29(41)21(5)28(40)34(7,44)17-35(8,45)31(52-33-26(39)23(38(11)12)15-18(2)48-33)19(3)27(20(4)32(43)50-24)51-25-16-36(9,47-13)30(42)22(6)49-25/h18-27,29-31,33,39,41-42,44-46H,14-17H2,1-13H3
InChIKey
NSHOMXGWIJQXQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,9,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CAS: 51433-35-3
CID: 13041198
Formula: C37H67NO14
MW: 749.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight749.9
XLogP31.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass749.45615581
Monoisotopic Mass749.45615581
Topological Polar Surface Area214 Ų
Heavy Atom Count52
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count18
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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