Leucomycin A13

CAT: 1596-AR-L08180-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L08180-02Size:25 Units

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CAS Number

78897-52-6

Synonyms

4B-hexanoate leucomycin V; Kitasamycin A13

Molecular Formula

C41H69NO14

Molecular Weight

800.00

API Name

Leucomycin

Chemical Information

Leucomycin A13

Leucomycin A13 is a macrolide.

CAS Number	78897-52-6
PubChem CID	11954020
IUPAC Name	[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] hexanoate
Molecular Formula	C41H69NO14
Molecular Weight	800.0
XLogP	3
Topological Polar Surface Area	200
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	14
Heavy Atom Count	56
Formal Charge	0
Complexity	1280

SMILES

CCCCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C

InChI

InChI=1S/C41H69NO14/c1-10-11-13-18-31(46)54-39-27(5)52-33(23-41(39,6)49)55-36-26(4)53-40(35(48)34(36)42(7)8)56-37-28(19-20-43)21-24(2)29(44)17-15-12-14-16-25(3)51-32(47)22-30(45)38(37)50-9/h12,14-15,17,20,24-30,33-40,44-45,48-49H,10-11,13,16,18-19,21-23H2,1-9H3/b14-12+,17-15+/t24-,25-,26-,27+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1

InChIKey

CUDHGRIZNLIHBG-TYBIZVFLSA-N

Chemical Structure

2D Structure

CAS: 78897-52-6

CID: 11954020

Formula: C41H69NO14

MW: 800.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	800.0
XLogP3	3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	14
Exact Mass	799.47180587
Monoisotopic Mass	799.47180587
Topological Polar Surface Area	200 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1280
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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Chemical Information

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