Myxochelin A

CAT: 0862-GW8199-100ugSize: 100 µgDry Ice: NoHazardous: No

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CAT#:0862-GW8199-100ugSize:100 µg

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CAS Number

120243-02-9

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

N,N'-((1S)-1-(Hydroxymethyl)-1,5-pentanediyl)bis(2,3-dihydroxybenzamide)

myxochelin A has been reported in Stigmatella aurantiaca and Streptomyces albus with data available.

CAS Number	120243-02-9
PubChem CID	16093504
IUPAC Name	N-[(5S)-5-[(2,3-dihydroxybenzoyl)amino]-6-hydroxyhexyl]-2,3-dihydroxybenzamide
Molecular Formula	C20H24N2O7
Molecular Weight	404.4
XLogP	2.3
Topological Polar Surface Area	159
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	29
Formal Charge	0
Complexity	533

SMILES

C1=CC(=C(C(=C1)O)O)C(=O)NCCCC[C@@H](CO)NC(=O)C2=C(C(=CC=C2)O)O

InChI

InChI=1S/C20H24N2O7/c23-11-12(22-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-21-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,23-27H,1-2,5,10-11H2,(H,21,28)(H,22,29)/t12-/m0/s1

InChIKey

WNBVGSNESTZACV-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 120243-02-9

CID: 16093504

Formula: C20H24N2O7

MW: 404.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	404.4
XLogP3	2.3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	404.15835111
Monoisotopic Mass	404.15835111
Topological Polar Surface Area	159 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	533
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-M900000-25MG	Myxochelin A

Myxochelin A

Chemical Information

Alternative Products

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