Manumycin A | CAS No. 52665-74-4

Manumycin A

Basic Information

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CAS Number

52665-74-4

Molecular Formula

C31H38N2O7

Molecular Weight

550.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

863.6 °C at 760 mmHg

Density

1.26±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

476.1 °C

Solubility

Insuluble (2.5E-3 g/L) (25 ºC),

Refractive Index

1.604

SMILES

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CCCCC(C)C=C(C)C=C(C)C(=O)NC1=CC(C2C(C1=O)O2)(C=CC=CC=CC(=O)NC3=C(CCC3=O)O)O

InChI

InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31+/m1/s1

InChIKey

TWWQHCKLTXDWBD-MVTGTTCWSA-N

LogP

3.7039000000000017

Topological Polar Surface Area

145.33 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

1260

Synonyms & References

English

SMP2_000130
QTL1_000054
LMFA08020185
DTXSID401025744
UNII-OIQ298X4XD
UCF-1C
OIQ298X4XD
AC1O5PHE
HMS1792M13
NSC 622141
NCGC00163464-02
Manumycin A
NSC-622141
NCGC00163464-01
BSPBio_001231
Ucfi-C
52665-74-4
HMS1990M13
CS-0100050
HY-N6796
SCHEMBL12519093
(2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyl-deca-2,4-dienamide
AKOS040742100
HMS3403M13
Q27110184
2,4-Decadienamide, N-(5-hydroxy-5-(7-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-7-oxo-1,3,5-heptatrienyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-2,4,6-trimethyl-
2,4-DECADIENAMIDE, N-((1S,5S,6R)-5-HYDROXY-5-((1E,3E,5E)-7-((2-HYDROXY-5-OXO-1-CYCLOPENTEN-1-YL)AMINO)-7-OXO-1,3,5-HEPTATRIEN-1-YL)-2-OXO-7-OXABICYCLO(4.1.0)HEPT-3-EN-3-YL)-2,4,6-TRIMETHYL-, (2E,4E,6R)-
(2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
manumycin
2,4-DECADIENAMIDE, N-(5-HYDROXY-5-(7-((2-HYDROXY-5-OXO-1- CYCLOPENTEN-1-YL)AMINO)-7-OXO-1,3,5-HEPTATRIENYL)-2-OXO-7- OXABICYCLO(4.1.0)HEPT-3-EN-3-YL)-2,4,6-TRIMETHYL-
(-)-MANUMYCIN A

MDL Number

MFCD18432704

FAQ

What are the physical and chemical properties of Manumycin A (CAS: 52665-74-4)?

Manumycin A (CAS: 52665-74-4) is a crystalline compound with a molecular weight of approximately 554.5 g/mol. It has low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive, particularly with nucleophiles. Its stability in air and light should be handled with care, and it is often stored under an inert atmosphere.

How is Manumycin A (CAS: 52665-74-4) typically synthesized?

Manumycin A (CAS: 52665-74-4) is synthesized through a multi-step process involving the use of carbonylation reactions and epoxidation. The synthesis typically requires catalytic amounts of a transition metal complex, such as ruthenium. The selectivity and yield are influenced by reaction conditions, including temperature and pressure.

What industries use Manumycin A (CAS: 52665-74-4)?

Manumycin A (CAS: 52665-74-4) finds application in the pharmaceutical industry, particularly in the development of antifungal agents. It is also used in the sensor industry for its unique optical properties and in certain polymer applications due to its chemical reactivity.

What precautions should be taken when handling Manumycin A (CAS: 52665-74-4)?

When handling Manumycin A (CAS: 52665-74-4), it is important to use appropriate personal protective equipment (PPE), including gloves and a lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up carefully using appropriate chemicals, and the safety data sheet (SDS) should be consulted for specific cleanup procedures.