AMPSO - ≥97% , CAS No.68399-79-1

CAS: 68399-79-1 Cat. No.: A591025 Formula: C₇H₁₇NO₅S Molecular Weight: 227.28 Beilstein Registry Number: 5929916 EC Number: 269-991-7

GRADE & PURITY ≥97%

Synonyms

2',3' Dideoxyinosine | AS-73039 | SCHEMBL50906 | 3-((1,1-Dimethyl-2-hydroxyethyl)amino)-2-hydroxypropanesulfonic acid | FT-0622361 | MFCD00041777 | AMPSO, BioXtra, >=99.0% (T) | 2-Hydroxy-3-((2-hydroxy-1,1-dimethylethyl)amino)-1-propanesulfonic acid | MFC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2',3' Dideoxyinosine | AS-73039 | SCHEMBL50906 | 3-((1,1-Dimethyl-2-hydroxyethyl)amino)-2-hydroxypropanesulfonic acid | FT-0622361 | MFCD00041777 | AMPSO, BioXtra, >=99.0% (T) | 2-Hydroxy-3-((2-hydroxy-1,1-dimethylethyl)amino)-1-propanesulfonic acid | MFC

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504756459
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756459
• Canonical Smiles: CC(C)(CO)NCC(CS(=O)(=O)O)O
• IUPAC Name: 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid
• InChIKey: ACERFIHBIWMFOR-UHFFFAOYSA-N
• INCHI: 1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)
• Isomeric SMILES: CC(C)(CO)NCC(CS(=O)(=O)O)O
• WGK Germany: 3
• Molecular Weight: 227.28
• Beilstein: 5929916
• Reaxy-Rn: 5929916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5929916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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

• Solubility: Soluble in water (333.33 mg/ml, clear to slightly hazy colorless solution).
• Melt Point(°C): 222°C
• Molecular Weight: 227.280 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 227.083 Da
• Monoisotopic Mass: 227.083 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 256.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 68399-79-1, the molecular formula is C7H17NO5S, and the molecular weight is 227.28 g/mol. InChIKey ACERFIHBIWMFOR-UHFFFAOYSA-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.