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Spiramycin EP Impurity B ; spiramycin IV

CAT: 1299-RM-S033203-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S033203-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
249930-66-3
Synonyms
(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- (((2R,5S,6R) -5- (dimethylamino) -6-methyltetrahydro-2H-pyran-2-yl) oxy) -4-hydroxy-7- (2-hydroxyethyl) -5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-dien-2-one
Molecular Formula
C43H76N2O14
Molecular Weight
845.08
Target Alternative Name
Spiramycin
Product Name Synonym
(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- (((2R,5S,6R) -5- (dimethylamino) -6-methyltetrahydro-2H-pyran-2-yl) oxy) -4-hydroxy-7- (2-hydroxyethyl) -5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-dien-2-one

Chemical Information

Spiramycin EP Impurity B
CAS Number249930-66-3
PubChem CID169446517
IUPAC Name(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-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
Molecular FormulaC43H76N2O14
Molecular Weight845.1
XLogP2.3
Topological Polar Surface Area199
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count59
Formal Charge0
Complexity1340
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)CCO)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C
InChI
InChI=1S/C43H76N2O14/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/h12-14,16,24-32,34-42,46-47,49-51H,15,17-23H2,1-11H3/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
IWOBTGVHVXKLCB-CEUOBAOPSA-N
Chemical Structure
2D Structure
2D structure of Spiramycin EP Impurity B
CAS: 249930-66-3
CID: 169446517
Formula: C43H76N2O14
MW: 845.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight845.1
XLogP32.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass844.52965510
Monoisotopic Mass844.52965510
Topological Polar Surface Area199 Ų
Heavy Atom Count59
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-S10750-01Spiramycin EP Impurity F (Spiramycin Dimer)
S682380Spiramycin Impurity B
AR-S10759-01Spiramycin Impurity 1 (Neospiramycin)
AR-S10760-01Spiramycin EP Impurity D
IS181593-01Spiramycin EP impurity B
AR-S10757-01Spiramycin EP Impurity E
AR-S10756-01Spiramycin EP Impurity C
AR-S10751-01Spiramycin EP Impurity A (Neospiramycin I)
AR-S10761-01Spiramycin EP Impurity H (Neospiramycin III)
AR-S10758-01Spiramycin EP Impurity G (Neospiramycin II)

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