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Leucomycin Tartrate

CAT: 0572-TRC-L330328-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L330328-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37280-56-1
Synonyms
Leucomycin (2R,3R)-2,3-dihydroxybutanedioate (salt) (9CI); Leucomycin [R-(R*,R*)]-2,3-dihydroxybutanedioate (salt); Kitasamycin tartrate; Trubin
Hazard Statement
Causes skin irritation
Smiles
OC1[C@H](OC2C(CCO)C[C@H](C)C(O)/C=C/C=C/C[C@H](C)OC(CC(OC)C2OC)=O)O[C@H](C)C(OC3O[C@H](C)C(O)[C@@](O)(C)C3)[C@@H]1N(C)C.OC([C@H](O)[C@@H](O)C(O)=O)=O
Molecular Formula
C36H63NO13.C4H6O6
Molecular Weight
867.97
InChI
InChI=1S/C36H63NO13.C4H6O6/c1-20-17-24(15-16-38)32(33(45-9)26(44-8)18-27(40)46-21(2)13-11-10-12-14-25(20)39)50-35-30(41)29(37(6)7)31(22(3)48-35)49-28-19-36(5,43)34(42)23(4)47-28;5-1(3(7)8)2(6)4(9)10/h10-12,14,20-26,28-35,38-39,41-43H,13,15-19H2,1-9H3;1-2,5-6H,(H,7,8)(H,9,10)/b11-10+,14-12+;/t20?,21?,22?,23?,24?,25?,26?,28?,29-,30?,31?,32?,33?,34?,35+,36?;1-,2-/m11/s1
Additionnal Information
IUPAC name: (9S,11E,13E,16S)-6-(((2S,4R,6R)-5-(((4R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-7-(2-hydroxyethyl)-4,5-dimethoxy-9,16-dimethyloxacyclohexadeca-11,13-dien-2-one (2R,3R)-2,3-dihydroxysuccinate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Leucomycin, (2R,3R)-2,3-dihydroxybutanedioate (1:?)
CAS Number37280-56-1
PubChem CID6450271
IUPAC Name2,3-dihydroxybutanedioic acid;2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2R,5S,6R)-5-hydroxy-4,4,6-trimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Molecular FormulaC40H67NO18
Molecular Weight850.0
Topological Polar Surface Area289
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Heavy Atom Count59
Formal Charge0
Complexity1230
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]3CC([C@@H]([C@H](O3)C)O)(C)C)N(C)C)O)CC=O)C)O.C(C(C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C36H61NO12.C4H6O6/c1-20-17-24(15-16-38)32(33(44-9)26(40)18-27(41)45-21(2)13-11-10-12-14-25(20)39)49-35-30(42)29(37(7)8)31(22(3)47-35)48-28-19-36(5,6)34(43)23(4)46-28;5-1(3(7)8)2(6)4(9)10/h10-12,14,16,20-26,28-35,39-40,42-43H,13,15,17-19H2,1-9H3;1-2,5-6H,(H,7,8)(H,9,10)/b11-10+,14-12+;/t20-,21-,22-,23-,24+,25+,26-,28-,29-,30-,31-,32+,33+,34-,35+;/m1./s1
InChIKey
LCDBILLRZFJKMN-RKYMYSRXSA-N
Chemical Structure
2D Structure
2D structure of Leucomycin, (2R,3R)-2,3-dihydroxybutanedioate (1:?)
CAS: 37280-56-1
CID: 6450271
Formula: C40H67NO18
MW: 850.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight850.0
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Exact Mass849.43581429
Monoisotopic Mass849.43581429
Topological Polar Surface Area289 Ų
Heavy Atom Count59
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes