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PF 1163A

CAT: 0926-IKA87159-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-IKA87159-02Size:5 mg
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CAS Number
258871-59-9
Smiles
CCCC (CC1CCC (CCCCC (=O) N (C (C (=O) O1) CC2=CC=C (C=C2) OCCO) C) C) O
Molecular Formula
C27H43NO6
Molecular Weight
477.6 g/mol
Controlled
No

Chemical Information

PF 1163A

PF 1163A is a macrolide antibiotic that is 4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione substituted by a 4-(2-hydroxyethoxy)benzyl group at position 3 and a (2R)-2-hydroxypentyl group at position 13 (the 3S,10R,13S stereoisomer). It is isolated from Penicillium sp.PF1163 and exhibits antifungal activity against the pathogenic fungal strain Candida albicans TIMM1768. It has a role as an antifungal agent and a Penicillium metabolite. It is a lactam, a macrolide antibiotic, an aromatic ether and a secondary alcohol.

CAS Number258871-59-9
PubChem CID489139
IUPAC Name(3S,10R,13S)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-13-[(2S)-2-hydroxypentyl]-4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione
Molecular FormulaC27H43NO6
Molecular Weight477.6
XLogP4.6
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity592
SMILES
CCC[C@@H](C[C@@H]1CC[C@@H](CCCCC(=O)N([C@H](C(=O)O1)CC2=CC=C(C=C2)OCCO)C)C)O
InChI
InChI=1S/C27H43NO6/c1-4-7-22(30)19-24-13-10-20(2)8-5-6-9-26(31)28(3)25(27(32)34-24)18-21-11-14-23(15-12-21)33-17-16-29/h11-12,14-15,20,22,24-25,29-30H,4-10,13,16-19H2,1-3H3/t20-,22+,24+,25+/m1/s1
InChIKey
SDBGPLZSWIQIOV-VQPAQMSKSA-N
Chemical Structure
2D Structure
2D structure of PF 1163A
CAS: 258871-59-9
CID: 489139
Formula: C27H43NO6
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass477.30903809
Monoisotopic Mass477.30903809
Topological Polar Surface Area96.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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