AG002PUU

24916-51-6 | Leucomycin V, 9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 3-acetate

AG002PUU

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CAS Number	24916-51-6
Catalog Number	AG002PUU(AGN-PC-0R0M4E)
Chemical Name	Leucomycin V, 9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 3-acetate
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-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
InChI	InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
InChI Key	ZPCCSZFPOXBNDL-ZSTSFXQOSA-N
MDL Number	MFCD01684079
Molecular Formula	C45H76N2O15
Molecular Weight	885.0893
SMILES	O([C@]1([H])O[C@H](C)[C@@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@](O)(C)C2)[C@H](N(C)C)[C@H]1O)[C@H]1[C@H](C[C@H]([C@H](C=CC=CC[C@@H](C)OC(=O)C[C@@]([H])(OC(=O)C)[C@@H]1OC)O[C@@]1([H])CC[C@H](N(C)C)[C@@H](C)O1)C)CC=O
Synonyms	acetylspiramycin, foromacidin B, spiramycin B, spiramycin II, acetylspiramycin, Spiramycin II, 24916-51-6, Foromacidin B, Acetylspiramycin (TN), A-SPM, C45H76N2O15, Acetylspiramycin (ASPM), ASPM, Acetylspiramycin,(S), Acetylspiramycin (JP16), Acetylspiramycin (JP17), MolPort-006-069-287, HY-B1916, MFCD01684079, AKOS030573278, ZINC253476106, CS-8190, C12891, D02420, 916A516, SR-01000872573, SR-01000872573-1, [(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-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate, Foromacidine B, Spiramycin 2, Spiramycin B, Acetylspiramycinum, Acetyl Spiramycin, Acetylspiramycin [JAN], UNII-05298J5WMU, C45-H76-N2-O15, CS-O-05995, Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, Leucomycin V, 9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 3-acetate, [9(5S,6R)]-,

Complexity	1480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	19
Defined Bond Stereocenter Count	2
Exact Mass	884.525g/mol
Formal Charge	0
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	885.102g/mol
Monoisotopic Mass	884.525g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	201A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number