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Oleandomycin

CAT: 0926-AO16827-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-AO16827-04Size:10 mg
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CAS Number
3922-90-5
Synonyms
8- (3,5-Dihydroxy-2,4-dimethylhexanoyl) -5- (4-dimethylaminotetrahydro-3-hydroxy-6-methylpyran-2-yloxy) -8,9-epoxy-2,4,6-trimethyl-3- (te trahydro-5-hydroxy-4-methoxy-6-methylpyran-2-yloxy) nonanoic acid ?-lactone; Amimycin; Antibiotic PA 105
Smiles
C[C@@H]1C[C@@H] ([C@H] ([C@@H] (O1) O[C@H]2[C@H] (C[C@@]3 (CO3) C (=O) [C@@H] ([C@H] ([C@H] ([C@H] (OC (=O) [C@@H] ([C@H] ([C@@H]2C) O[C@H]4C[C@@H] ([C@H] ([C@@H] (O4) C) O) OC) C) C) C) O) C) C) O) N (C) C
Molecular Formula
C35H61NO12
Molecular Weight
687.86 g/mol
Controlled
No

Chemical Information

Oleandomycin

Oleandomycin is a member of oleandomycins. It is functionally related to an oleandolide. It is a conjugate base of an oleandomycin(1+).

CAS Number3922-90-5
PubChem CID72493
IUPAC Name(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
Molecular FormulaC35H61NO12
Molecular Weight687.9
XLogP2.6
Topological Polar Surface Area166
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count48
Formal Charge0
Complexity1090
SMILES
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C
InChI
InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1
InChIKey
RZPAKFUAFGMUPI-QESOVKLGSA-N
Chemical Structure
2D Structure
2D structure of Oleandomycin
CAS: 3922-90-5
CID: 72493
Formula: C35H61NO12
MW: 687.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.9
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass687.41937638
Monoisotopic Mass687.41937638
Topological Polar Surface Area166 Ų
Heavy Atom Count48
Formal Charge0
Complexity1090
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

Alternative Products

CatalogName
C3213-1Oleandomycin
13092099Oleandomycin phosphate
HY-116010ROleandomycin (Standard)
A18886-10Oleandomycin 10mg
A18886-1Oleandomycin 1mg
HY-116010A-01Oleandomycin (phosphate)

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