Spectinomycin sulfate tetrahydrate - ≥96% , CAS No.64058-48-6

CAS: 64058-48-6 Cat. No.: S350547 Peso molecular: 502.48 Número EC: 613-422-0 PubChem CID: 64770

GRADE & PURITY ≥96%

Synonyms

DTXSID00982498 | Adspec Sterile Solution | (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0,tetradecan-7-one sulfuric acid tetrahydrate | U 18409E | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DTXSID00982498 | Adspec Sterile Solution | (1R, 3S, 5R, 8R, 10R, 11S, 12S, 13R, 14S)-8, 12, 14-trihydroxy-5-methyl-11, 13-bis(methylamino)-2, 4, 9-trioxatricyclo[8.4.0.0, tetradecan-7-one sulfuric acid tetrahydrate | U 18409E | (2R, 4aR, 5aR, 6S, 7S, 8R, 9S, 9aR, 10aS)-4a, 7, 9-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Propiedades del producto

• pKa: pKₐ: 7.00, pKₐ: 8.50 (H2O).

Nombres e identificadores

• Pubchem Sid: 504753922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753922
• Sonrisas canónicas: CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.OS(=O)(=O)O
• IUPAC Name: sulfuric acid;(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;tetrahydrate
• InChIKey: OBZDRKHRQYPQDZ-SACNDDTHSA-N
• INCHI: 1S/C14H24N2O7.H2O4S.4H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4);4*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;/m1...../s1
• Isómeros SMILES: C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.OS(=O)(=O)O
• RTECS: WG 7425000
• PubChem CID: 64770
• Peso molecular: 502.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives
      • Subclass Organic sulfuric acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Oxanes 1,4-dioxanes Secondary alcohols Ketones Hemiacetals Cyclic alcohols and derivatives 1,2-aminoalcohols Polyols Oxacyclic compounds Dialkylamines Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Sulfuric acid - Para-dioxane - Oxane - Cyclic alcohol - 1,2-aminoalcohol - Secondary alcohol - Hemiacetal - Ketone - Acetal - Secondary aliphatic amine - Oxacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
• 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

Propiedades químicas y físicas

• Índice de refracción: n20D~1.59 (Predicted)
• Rotación específica [α]: α25/D +17.0°, c = 1 in water
• Punto de fusión (°C): ~185° C (dec.)
• Peso molecular: 502.500 g/mol
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 2
• Exact Mass: 502.168 Da
• Monoisotopic Mass: 502.168 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 559.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 6

XLogP3

Referencias

1. Jiawei Wang, Xingyu Ouyang, Shiyu Meng, Bowen Zhao, Liangxu Liu, Chaofeng Li, Hengrun Li, Haotian Zheng, Yihan Liu, Ting Shi, Yi-Lei Zhao, Jun Ni.  (2025)  Rational multienzyme architecture design with iMARS.  CELL,      [PMID:39855196] [10.1016/j.cell.2024.12.029]