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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...
View on PubChemRaw 3D data
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

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