Pneumocandin B0

About This Item

Molecular Formula	C₅₀H₈₀N₈O₁₇
CAS Number	135575-42-7

FC-0445228

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Properties

Chemical Identifiers

IUPAC Name	(10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-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
SMILES	CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=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
InChI Key	DQXPFAADCTZLNL-FXDJFZINSA-N

Physical Properties

Boiling Point	1442.9±65.0 °C at 760 mmHg
Flash Point	826.5±34.3 °C
Density	1.4±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

826.5±34.3 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.