Pneumocandin C(0)

N-[(3S,6S,9S,11R,15S,20S,21R,24S,26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,26-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide

CAS: 144074-96-4

Molecular Formula	`C50H80N8O17`
Molecular Weight	1065.2 g/mol
LogP	0.5
Topological Polar Surface Area	411.0 A2
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	17
Rotatable Bonds	20
Exact Mass	1064.5641
Heavy Atoms	75
Complexity	1930.0

Chemical Identifiers

CAS Number	144074-96-4
SMILES	`CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2CC(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O`
InChIKey	`IPMHTGKXJQHTQV-YWVCOZMLSA-N`

📖 Product Overview

Pneumocandin C(0) (CAS: 144074-96-4) is a chemical compound with molecular formula C50H80N8O17 and molecular weight 1065.2 g/mol. Its IUPAC systematic name is N-[(3S,6S,9S,11R,15S,20S,21R,24S,26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,26-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide. LogP 0.5 Topological Polar Surface Area 411.0 A2 Hydrogen Bond Donors 15 Hydrogen Bond Acceptors 17 Rotatable Bonds 20 Exact Mass 1064.5641 Heavy Atoms 75 Complexity 1930.0 InChI Key: IPMHTGKXJQHTQV-YWVCOZMLSA-N. SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2CC(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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