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Erythromycin B

CAT: 1596-AR-E01798-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01798-02Size:25 Units
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CAS Number
527-75-3
Synonyms
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R) -6- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -14-ethyl-7,12-dihydroxy-4- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione; Erythromycin B; Oxacyclotetradecane, erythromycin deriv.; 12-Deoxyerythromycin; Abbott 24091; Berythromycin
Molecular Formula
C37H67NO12
Molecular Weight
717.95
API Name
Erythromycin

Chemical Information

Erythromycin B

Erythromycin B is an erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. It is functionally related to an erythronolide B.

CAS Number527-75-3
PubChem CID9918244
IUPAC Name(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular FormulaC37H67NO12
Molecular Weight717.9
XLogP3.9
Topological Polar Surface Area174
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count50
Formal Charge0
Complexity1130
SMILES
CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C
InChI
InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1
InChIKey
IDRYSCOQVVUBIJ-PPGFLMPOSA-N
Chemical Structure
2D Structure
2D structure of Erythromycin B
CAS: 527-75-3
CID: 9918244
Formula: C37H67NO12
MW: 717.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight717.9
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass717.46632657
Monoisotopic Mass717.46632657
Topological Polar Surface Area174 Ų
Heavy Atom Count50
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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