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8025-81-8

8025-81-8 structural image
Product Name: Spiramycin
Formula: C43H74N2O14
Synonyms: Formacidine
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Amorphous
Solubility Slightly soluble in water
Optical Rotation Specific optical rotation: -80 deg at 20 °C/D
Decomposition When heated to decomposition it emits acrid smoke & irritating fumes.
pH Base
Collision Cross Section 317 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties MW: 843.05. Crystals. MP: 134-137 °C. Specific optical rotation: -96 deg at 20 °C/D /Spiramycin I/
Chemical Classes Other Uses -> Pharmaceuticals

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H303:Acute toxicity,oral
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 843.1 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 11
Exact Mass 842.51400504 g/mol
Monoisotopic Mass 842.51400504 g/mol
Topological Polar Surface Area 195 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1370
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 12
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde is a natural product found in Streptomyces ambofaciens and Streptomyces albofaciens with data available.

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