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82343-12-2

82343-12-2 structural image
Product Name: ERYTHROMYCIN, [N-METHYL-14C]
Formula: C37H67NO13
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Hydrated crystals from water
Odor Odorless
Taste Bitter
Boiling Point 719.69
Melting Point 133-135
Solubility Soluble in water at 2mg/ml
LogP 2.6
LogS -3.2
Optical Rotation Hydrated crystals from acetone + water, mp 106-110 °C. Specific optical rotation = -42.5 °C at 25 °C/D /Erythromycin ethyl succinate/
Decomposition When heated to decomp it emits toxic fumes of /nitric oxides./
pH pH (saturated solution): 8 to 10.5; pH <4 is destructive
Ionization Efficiency Positive
Refractive Index INDEX OF REFRACTION: 1.490 (ALPHA), 1.515 (BETA), 1.567 (GAMMA) /Erythromycin ethyl succinate/
Dissociation Constants 8.8
Collision Cross Section 258.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Slightly hygroscopic

COMPUTED DESCRIPTORS

Molecular Weight 733.9 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 7
Exact Mass 733.46124119 g/mol
Monoisotopic Mass 733.46124119 g/mol
Topological Polar Surface Area 194 Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1180
Isotope Atom Count 0
Defined Atom Stereocenter Count 18
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Erythromycin A is an erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. It is an erythromycin and a cyclic ketone. It is functionally related to an erythronolide A. It is a conjugate base of an erythromycin A(1+).