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N-Desmethyl Azithromycin B

CAT: 0572-TRC-D290805-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D290805-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
857078-26-3
Synonyms
(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-4,10-dihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one; N-Desmethyl azithromycin B
Hazard Statement
No Data Available
Smiles
O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@@H](C)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3
Molecular Formula
C37H70N2O11
Molecular Weight
718.95
InChI
InChI=1S/C37H70N2O11/c1-14-27-21(4)29(40)24(7)38-18-19(2)16-36(9,44)33(50-35-30(41)26(39(11)12)15-20(3)46-35)22(5)31(23(6)34(43)48-27)49-28-17-37(10,45-13)32(42)25(8)47-28/h19-33,35,38,40-42,44H,14-18H2,1-13H3/t19-,20-,21+,22+,23-,24-,25+,26+,27-,28+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1
Additionnal Information
IUPAC name: (2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-4,10-dihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Shipping Conditions
Room Temperature

Chemical Information

N-Desmethyl Azithromycin B
CAS Number857078-26-3
PubChem CID171370600
IUPAC Name(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC37H70N2O11
Molecular Weight719.0
XLogP4.8
Topological Polar Surface Area169
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count50
Formal Charge0
Complexity1070
SMILES
CC[C@@H]1[C@@H]([C@@H]([C@H](NC[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/C37H70N2O11/c1-14-27-21(4)29(40)24(7)38-18-19(2)16-36(9,44)33(50-35-30(41)26(39(11)12)15-20(3)46-35)22(5)31(23(6)34(43)48-27)49-28-17-37(10,45-13)32(42)25(8)47-28/h19-33,35,38,40-42,44H,14-18H2,1-13H3/t19-,20-,21+,22+,23-,24-,25+,26+,27-,28+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1
InChIKey
VUPHMOHDOYHVSB-VZIFPMBTSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl Azithromycin B
CAS: 857078-26-3
CID: 171370600
Formula: C37H70N2O11
MW: 719.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.0
XLogP34.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass718.49796105
Monoisotopic Mass718.49796105
Topological Polar Surface Area169 Ų
Heavy Atom Count50
Formal Charge0
Complexity1070
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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