Spiramycin - ≥90%(HPLC) , CAS No.8025-81-8

CAS: 8025-81-8 Cat. No.: S112804 Formula: C₄₃H₇₄N₂O₁₄ Molecular Weight: 843.06 EC Number: 232-429-6 PubChem CID: 6419898

GRADE & PURITY ≥90%(HPLC)

Synonyms

Spiramycin, European Pharmacopoeia (EP) Reference Standard | AKOS015896378 | SR-01000872632-1 | SR-01000872632 | Prestwick3_000745 | Prestwick_121 | Prestwick2_000745 | Spiramycin, Pharmaceutical Secondary Standard; Certified Reference Material | spiramyc

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

A mixture of Spiramycin I, II and III.

Specifications

Synonyms

Spiramycin, European Pharmacopoeia (EP) Reference Standard | AKOS015896378 | SR-01000872632-1 | SR-01000872632 | Prestwick3_000745 | Prestwick_121 | Prestwick2_000745 | Spiramycin, Pharmaceutical Secondary Standard; Certified Reference Material | spiramyc

Specifications & Purity

≥90%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%(HPLC)

Names and Identifiers

Pubchem Sid

504764119

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764119

Canonical Smiles

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

IUPAC Name

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

InChIKey

ACTOXUHEUCPTEW-JMRHEKERSA-N

INCHI

1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1

Isomeric SMILES

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

WGK Germany

1

RTECS

WG9400000

PubChem CID

6419898

Molecular Weight

843.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues Disaccharides O-glycosyl compounds Oxanes Alpha-hydrogen aldehydes Tertiary alcohols 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters Secondary alcohols Lactones Acetals Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Alpha-hydrogen aldehyde - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• x_specific_rotation: 81 ° (C=2, 10% AcOH)
• x_melt_point_char: 134-137°C
• Molecular Weight: 843.100 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 842.514 Da
• Monoisotopic Mass: 842.514 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 59
• Formal Charge: 0
• Complexity: 1370.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 12
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥90% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 8025-81-8, the molecular formula is C43H74N2O14, and the molecular weight is 843.06 g/mol. InChIKey ACTOXUHEUCPTEW-JMRHEKERSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.