(2S,4S)-(+)-2,4-Pentanediol - ≥98% , CAS No.72345-23-4

CAS: 72345-23-4 Cat. No.: S161001 Formule: C₅H₁₂O₂ Poids moléculaire: 104.15 Beilstein Registry Number: 4123490 PubChem CID: 6950200

GRADE & PURITY ≥98%

Synonyms

(2S,4S)-(+)-2,4-Dihydroxypentane | SCHEMBL42873 | (+)-(2S,4S)pentane-2,4-diol | (+)-2,4-pentanediol | 4,6-Dichloro-2-phenylpyrimidine - | (2S,4S)-pentane-2,4-diol;(2S,4S)-(+)-2,4-Pentanediol | NSC42516 | Rel-(2s,4s)-pentane-2,4-diol | (2S,4S)-(+)-2,4-Pent

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Usually used to prepare NIP-101, a potent calcium antagonist.

Specifications

Synonymes

(2S,4S)-(+)-2,4-Dihydroxypentane | SCHEMBL42873 | (+)-(2S,4S)pentane-2,4-diol | (+)-2,4-pentanediol | 4,6-Dichloro-2-phenylpyrimidine - | (2S,4S)-pentane-2,4-diol;(2S,4S)-(+)-2,4-Pentanediol | NSC42516 | Rel-(2s,4s)-pentane-2,4-diol | (2S,4S)-(+)-2,4-Pent

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488195898

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195898

Sourires canoniques

CC(CC(C)O)O

IUPAC Name

(2S,4S)-pentane-2,4-diol

InChIKey

GTCCGKPBSJZVRZ-WHFBIAKZSA-N

INCHI

1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1

Isomères SMILES

C[C@@H](C[C@H](C)O)O

WGK Allemagne

3

PubChem CID

6950200

Poids moléculaire

104.15

Beilstein

4123490

Reaxy-Rn

4903450

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Propriétés chimiques et physiques

• Solubilité: Solubility in EtOH ：almost transparency
• Sensibilité: Hygroscopic
• Rotation spécifique [α]: 54° (C=10,EtOH)
• Point d'éclair (°F): 213.8 °F
• Point d'éclair (°C): 101 °C
• Point de fusion (°C): 48 °C
• Poids moléculaire: 104.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.084 Da
• Monoisotopic Mass: 104.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 39.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 72345-23-4, the molecular formula is C5H12O2, and the molecular weight is 104.15 g/mol. InChIKey GTCCGKPBSJZVRZ-WHFBIAKZSA-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.