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Spiramycin Adipate

CAT: 1596-AR-S01861-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01861-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68880-55-7
Synonyms
2- ((4R,5S,6S,7R,9R,10R,11E,13E,16R) -6- (((2S,3R,4R,5S,6R) -5- (((2S,4R,5S,6S) -4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -10- (((5S,6R) -5- (dimethylamino) -6-methyltetrahydro-2H-pyran-2-yl) oxy) -4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl) acetaldehyde adipate; Hexanedioic Acid, Compd. With Spiramycin; Mamivert; Spiramycin Adipate; Spiramycin, Hexanedioate (salt) ; Suanovil
Molecular Formula
C43H74N2O14. C6H10O4
Molecular Weight
843.07 146.14
API Name
Spiramycin

Chemical Information

Spiramycin adipate

See also: Spiramycin, hexanedioate (1:1) (salt) (annotation moved to).

CAS Number68880-55-7
PubChem CID6450354
IUPAC Name2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;hexanedioic acid
Molecular FormulaC49H84N2O18
Molecular Weight989.2
Topological Polar Surface Area270
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Heavy Atom Count69
Formal Charge0
Complexity1480
SMILES
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CC[C@@H]([C@H](O4)C)N(C)C.C(CCC(=O)O)CC(=O)O
InChI
InChI=1S/C43H74N2O14.C6H10O4/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34;7-5(8)3-1-2-4-6(9)10/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3;1-4H2,(H,7,8)(H,9,10)/b13-12+,16-14+;/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34?,35+,36-,37-,38-,39+,40+,41+,42+,43-;/m1./s1
InChIKey
PLQDGTZICFBBSO-DPUAUXBSSA-N
Chemical Structure
2D Structure
2D structure of Spiramycin adipate
CAS: 68880-55-7
CID: 6450354
Formula: C49H84N2O18
MW: 989.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight989.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Exact Mass988.57191383
Monoisotopic Mass988.57191383
Topological Polar Surface Area270 Ų
Heavy Atom Count69
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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