Leucomycin A8

CAT: 1596-AR-L08177-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L08177-03Size:50 Units

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CAS Number

18361-50-7

Synonyms

[ (4R,5S,6S,7R,9R,10R,11E,13E,16R) -6-[ (2S,3R,4R,5S,6R) -5-[ (2S,4R,5S,6S) -5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4- (dimethylamino) -3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7- (2-oxoethyl) -1-oxacyclohexadeca-11,13-dien-4-yl] acetate

Molecular Formula

C39H63NO15

Molecular Weight

785.93

API Name

Leucomycin

Chemical Information

Leucomycin A8

Leucomycin A8 is a macrolide.

CAS Number	18361-50-7
PubChem CID	5282327
IUPAC Name	[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
Molecular Formula	C39H63NO15
Molecular Weight	785.9
XLogP	1.7
Topological Polar Surface Area	206
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	12
Heavy Atom Count	55
Formal Charge	0
Complexity	1330

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)OC(=O)C)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)OC(=O)C)(C)O)N(C)C)O)CC=O)C)O

InChI

InChI=1S/C39H63NO15/c1-21-18-27(16-17-41)35(36(48-10)29(52-25(5)42)19-30(45)49-22(2)14-12-11-13-15-28(21)44)55-38-33(46)32(40(8)9)34(23(3)51-38)54-31-20-39(7,47)37(24(4)50-31)53-26(6)43/h11-13,15,17,21-24,27-29,31-38,44,46-47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t21-,22-,23-,24+,27+,28+,29-,31+,32-,33-,34-,35+,36+,37+,38+,39-/m1/s1

InChIKey

ZGKBDJKFINKSNH-FRFMCBNZSA-N

Chemical Structure

2D Structure

CAS: 18361-50-7

CID: 5282327

Formula: C39H63NO15

MW: 785.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	785.9
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	12
Exact Mass	785.41977030
Monoisotopic Mass	785.41977030
Topological Polar Surface Area	206 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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561573	Leucomycin
AL24876-01	Leucomycin A3
T38290	Leucomycin A4
TN10662-01	Leucomycin A7
453650-01	Leucomycin A13
L031-1MG	Leucomycin A1
TRC-L330328-500MG	Leucomycin Tartrate
sc-362763	Leucomycin A5
HY-N15421	Leucomycin A8
HY-N15086	Leucomycin U

Leucomycin A8

Chemical Information

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