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Avilamycin

CAT: 1596-AR-A03013-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
11051-71-1
Synonyms
(2R,3S,4R,6S) -6- (((3aR,4R,4'R,5'S,6S,6'R,7aR) -6- (((2S,3R,4R,5S,6R) -2- (((2R,3S,4S,5S,6S) -6- (((2'R,3aR,3a'S,6R,6'S,7S,7aR,7'R,7a'R) -7-acetyl-7-hydroxy-7'- (isobutyryloxy) -6-methyloctahydro-3a'H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6'-yl) oxy) -4-hydroxy-5-methoxy-2- (methoxymethyl) tetrahydro-2H-pyran-3-yl) oxy) -3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl) oxy) -4'-hydroxy-4,6',7a-trimethyloctahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl) oxy) -4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl 2,5-dichloro-4-hydroxy-6-methoxy-3-methylbenzoate; LY 048740; Maxus; Maxus 100; Maxus 200; Surmax
Molecular Formula
C61H88Cl2O32
Molecular Weight
1404.27
API Name
Avilamycin

Chemical Information

Avilamycin

similar to Hygromycin B but lacking amino groups

CAS Number11051-71-1
PubChem CID71674
IUPAC Name[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
Molecular FormulaC61H88Cl2O32
Molecular Weight1404.2
XLogP0.6
Topological Polar Surface Area385
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count32
Rotatable Bond Count20
Heavy Atom Count95
Formal Charge0
Complexity2660
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](OC3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)OC7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@]([C@H](O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
InChI
InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56?,57+,58-,59?,60+,61-/m1/s1
InChIKey
XIRGHRXBGGPPKY-OTPQUNEMSA-N
Chemical Structure
2D Structure
2D structure of Avilamycin
CAS: 11051-71-1
CID: 71674
Formula: C61H88Cl2O32
MW: 1404.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1404.2
XLogP30.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count32
Rotatable Bond Count20
Exact Mass1402.4635760
Monoisotopic Mass1402.4635760
Topological Polar Surface Area385 Ų
Heavy Atom Count95
Formal Charge0
Complexity2660
Isotope Atom Count0
Defined Atom Stereocenter Count29
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A220-1MGAvilamycin A
MBS340742-01Avilamycin
80-1107Avilamycin-HRP
377038Avilamycin discontinued
abx284188Avilamycin (HRP)
A221-1MGAvilamycin C
441942-01Avilamycin (~80%)
GTR19249135-01Avilamycin B
abx342141-01Avilamycin Antibody
AP32846PU-NAvilamycin Sheep Polyclonal Antibody

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