Sibiromycin , CAS No.12684-33-2

CAS: 12684-33-2 Cat. No.: S1312015 分子式: C₂₄H₃₃N₃O₇ 分子量: 475.5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• カノニカル・スマイル: C/C=C/C1=CN2[C@@H](C1)[C@H](NC3=C(C(=C(C=C3C2=O)O[C@H]4[C@@H]([C@]([C@H]([C@@H](O4)C)NC)(C)O)O)C)O)O
• IUPAC Name: (6R,6aS)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-4,6-dihydroxy-3-methyl-8-[(E)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
• InChIKey: RAGFPHFDFVNLCG-INYQBOQCSA-N
• INCHI: 1S/C24H33N3O7/c1-6-7-13-8-15-21(30)26-17-14(22(31)27(15)10-13)9-16(11(2)18(17)28)34-23-20(29)24(4,32)19(25-5)12(3)33-23/h6-7,9-10,12,15,19-21,23,25-26,28-30,32H,8H2,1-5H3/b7-6+/t12-,15-,19-,20-,21+,23-,24+/m0/s1
• 分子量: 475.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: 1,4-benzodiazepines 1-hydroxy-4-unsubstituted benzenoids Secondary alkylarylamines Monosaccharides Oxanes Vinylogous amides Tertiary carboxylic acid amides Tertiary alcohols Pyrrolines 1,2-aminoalcohols Lactams Amino acids and derivatives Secondary alcohols 1,2-diols Dialkylamines Azacyclic compounds Acetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoglycoside core - 1,4-benzodiazepine - Benzodiazepine - Secondary aliphatic/aromatic amine - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monosaccharide - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Tertiary alcohol - Pyrroline - Lactam - Secondary alcohol - 1,2-aminoalcohol - 1,2-diol - Carboxamide group - Amino acid or derivatives - Acetal - Alkanolamine - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Alcohol - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 475.500 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 475.232 Da
• Monoisotopic Mass: 475.232 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 837.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 12684-33-2, the molecular formula is C24H33N3O7, and the molecular weight is 475.5 g/mol. InChIKey RAGFPHFDFVNLCG-INYQBOQCSA-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.