Pneumocandin A0, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-

Basic Information

View in Editor

CAS Number

168110-44-9

Molecular Formula

C35H52N8O20S

Molecular Weight

936.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

View in Editor

C[C@H]1CN2[C@@H]([C@H]1O)C(=O)N[C@@H]([C@@H](C[C@@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C2=O)[C@@H](CC(=O)N)O)[C@@H]([C@H](c4ccc(c(c4)OS(=O)(=O)O)O)O)O)O)[C@@H](C)O)N)O)O

InChI

InChI=1S/C35H52N8O20S/c1-11-9-43-25(26(11)50)33(57)41-31(55)19(48)7-15(36)29(53)38-22(12(2)44)34(58)42-10-14(45)6-16(42)30(54)40-24(32(56)39-23(35(43)59)18(47)8-21(37)49)28(52)27(51)13-3-4-17(46)20(5-13)63-64(60,61)62/h3-5,11-12,14-16,18-19,22-28,31,44-48,50-52,55H,6-10,36H2,1-2H3,(H2,37,49)(H,38,53)(H,39,56)(H,40,54)(H,41,57)(H,60,61,62)/t11-,12+,14+,15-,16-,18+,19+,22-,23-,24-,25-,26-,27-,28-,31+/m0/s1

InChIKey

QCYMOOBOFFUBHZ-CPYYHODSSA-N

LogP

-9.264300000000025

Topological Polar Surface Area

471.8000000000001 Å²

Hydrogen Bond Donor/Acceptor

18 / 28

Synonyms & References

English

FR179642
FR-179642
FR179642, CMICA
Micafungin Nucleus
Micafungin FR-179642
N-1 Micafungin Sodium
Micafungin FR-179642 IMpurity
Micafungin Impurity FR-179642
Micafungin Sodium N-1 intermediate
Micafungin FR-179642 impurity (acid)
1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]pneumocandin A0
5-((1S,2S)-2-((2R,6S,9R,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate

MDL Number

MFCD30478434

FAQ

What is Pneumocandin A0 (CAS: 168110-44-9)?

Pneumocandin A0 (CAS: 168110-44-9) is a complex organic compound with a unique structure comprising a dihydroxy ornithine and a hydroxy threonine derivative. It is characterized by its complex stereochemistry and is known for its antimicrobial properties.

What are the main uses of Pneumocandin A0 (CAS: 168110-44-9)?

Pneumocandin A0 is primarily used in research and development for its potential as an antimicrobial agent. It is also studied for its antifungal properties, offering a promising avenue for new drug development.

Is Pneumocandin A0 (CAS: 168110-44-9) safe?

Pneumocandin A0 is generally considered safe under laboratory conditions when handled with appropriate precautions. However, it is important to follow safety guidelines, including wearing protective equipment and ensuring proper ventilation.

How should Pneumocandin A0 (CAS: 168110-44-9) be stored?

Pneumocandin A0 should be stored in a tightly closed container at a temperature below 20°C and away from direct light. It should be protected from moisture and humidity to prevent degradation. Optimal storage conditions ensure its stability and efficacy.