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Amidepsine A

CAT: 0498-bs-75090C-02Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75090C-02Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
169181-28-6
Conjugation
Unconjugated
Purity
>95% (HPLC)
Buffer
Powder
Solubility
Soluble in methanol, benzene or ethyl acetate. Insoluble in water or hexane.
Smiles
COC1=CC(OC)=C(C(=O)OC2=CC(C)=C(C(=O)OC3=CC(C)=C(C(=O)NC(C)C(O)=O)C(O)=C3)C(O)=C2)C(C)=C1
Molecular Formula
C29H29NO11
Molecular Weight
567.6
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
Pale white powder.

Chemical Information

Amidepsine A

Amidepsine A has been reported in Humicola with data available.

CAS Number169181-28-6
PubChem CID10099481
IUPAC Name2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid
Molecular FormulaC29H29NO11
Molecular Weight567.5
XLogP5.4
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity944
SMILES
CC1=CC(=CC(=C1C(=O)NC(C)C(=O)O)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C=C(C=C3C)OC)OC)O
InChI
InChI=1S/C29H29NO11/c1-13-8-18(10-20(31)23(13)26(33)30-16(4)27(34)35)40-28(36)24-14(2)9-19(11-21(24)32)41-29(37)25-15(3)7-17(38-5)12-22(25)39-6/h7-12,16,31-32H,1-6H3,(H,30,33)(H,34,35)
InChIKey
XQGKRCPZJSNFEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amidepsine A
CAS: 169181-28-6
CID: 10099481
Formula: C29H29NO11
MW: 567.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.5
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass567.17406074
Monoisotopic Mass567.17406074
Topological Polar Surface Area178 Ų
Heavy Atom Count41
Formal Charge0
Complexity944
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C4872-1Amidepsine A
EDA78634-01Amidepsine D
2147-500Amidepsine A, Humcola sp.
2148-1000Amidepsine D, Humcola sp.

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