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De-N-methylpamamycin-593A

CAT: 0013-GTR19255509-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255509-01Size:50 mg
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Description
De-N-methylpamamycin-593A is a 16-membered macrocyclic dilactone known for its ability to induce aerial mycelium formation.
CAS Number
226722-69-6
Field of Research
Infectious Disease & Virology
Smiles
[C@H] (C) ([C@]1 ([C@H] (C) [C@]2 (O[C@] (CC2) ([C@@H] (C) C (=O) O[C@@H] (CCC) C[C@]3 (O[C@@] ([C@H] (C) C (=O) O1) (CC3) [H]) [H]) [H]) [H]) [H]) [C@@]4 (O[C@H] (C[C@@H] (CCC) NC) CC4) [H]
Molecular Formula
C34H59NO7
Molecular Weight
593.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

De-N-methylpamamycin-593A

De-N-methylpamamycin-593A is a macrolide.

CAS Number226722-69-6
PubChem CID10674988
IUPAC Name(1R,2S,5S,6R,7S,10R,11R,14S,16S)-2,6,11-trimethyl-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(methylamino)pentyl]oxolan-2-yl]ethyl]-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Molecular FormulaC34H59NO7
Molecular Weight593.8
XLogP6.8
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity869
SMILES
CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)NC)C
InChI
InChI=1S/C34H59NO7/c1-8-10-24(35-7)18-26-12-14-28(38-26)20(3)32-21(4)29-16-17-31(41-29)23(6)33(36)40-25(11-9-2)19-27-13-15-30(39-27)22(5)34(37)42-32/h20-32,35H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,25+,26+,27+,28-,29+,30-,31-,32+/m1/s1
InChIKey
ZPJHYHYMPZPIHF-JAXDINSTSA-N
Chemical Structure
2D Structure
2D structure of De-N-methylpamamycin-593A
CAS: 226722-69-6
CID: 10674988
Formula: C34H59NO7
MW: 593.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.8
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass593.42915322
Monoisotopic Mass593.42915322
Topological Polar Surface Area92.3 Ų
Heavy Atom Count42
Formal Charge0
Complexity869
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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