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512-64-1

512-64-1 structural image
Product Name: QUINOMYCIN A
Formula: C51H64N12O12S2
Synonyms: Echinomycin Streptomyces sp. - CAS 512-64-1 - Calbiochem;NSC-13502, Quinomycin A;Quinomycin A
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility Soluble in 5% Cremophor EL /5% ethanol /90% water at 0.4mg/mL. Very insoluble in water.
Stability/Shelf Life Bulk: Should be stored at 5 °C or less.
Optical Rotation (c = 1.10, chloroform) [a]23D = -321 ± 2°

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H361:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 1101.3 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 7
Exact Mass 1100.42080787 g/mol
Monoisotopic Mass 1100.42080787 g/mol
Topological Polar Surface Area 352 Ų
Heavy Atom Count 77
Formal Charge 0
Complexity 2200
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 9
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Echinomycin is a natural product found in Streptomycetaceae, Streptomyces triostinicus, and Streptomyces echinatus with data available.