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Antimycin A3

CAT: 0543-A102-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0543-A102-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
522-70-3
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C26H36N2O9
Molecular Weight
520.6
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Butanoic acid, 2(or 3)-methyl-, (2R,3S,6S,7R,8R)-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester

Purothionin AII is an amidobenzoic acid.

CAS Number522-70-3
PubChem CID245869
IUPAC Name[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Molecular FormulaC26H36N2O9
Molecular Weight520.6
XLogP4.2
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity818
SMILES
CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
InChI
InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1
InChIKey
PVEVXUMVNWSNIG-PDPGNHKXSA-N
Chemical Structure
2D Structure
2D structure of Butanoic acid, 2(or 3)-methyl-, (2R,3S,6S,7R,8R)-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester
CAS: 522-70-3
CID: 245869
Formula: C26H36N2O9
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass520.24208073
Monoisotopic Mass520.24208073
Topological Polar Surface Area157 Ų
Heavy Atom Count37
Formal Charge0
Complexity818
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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