1,3-Diacetoxy-2-(acetoxymethoxy)propane - ≥98% , CAS No.86357-13-3

CAS: 86357-13-3 Cat. No.: D304787 Formula: C₁₀H₁₆O₇ Peso molecolare: 248.23

GRADE & PURITY ≥98%

Synonyms

[3-acetyloxy-2-(acetyloxymethoxy)propyl] acetate | 2-acetoxymethoxy-1,3-diacetoxypropane | AMY17778 | 1,3-diacetoxy-2-acetoxymethoxypropane | AS-15399 | AC-23926 | acetoxymethyl 1,3-diacetoxy-2-propyl ether | 1,3-diacetoxy-2-propoxymethyl acetate | BCP174

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

[3-acetyloxy-2-(acetyloxymethoxy)propyl] acetate | 2-acetoxymethoxy-1,3-diacetoxypropane | AMY17778 | 1,3-diacetoxy-2-acetoxymethoxypropane | AS-15399 | AC-23926 | acetoxymethyl 1,3-diacetoxy-2-propyl ether | 1,3-diacetoxy-2-propoxymethyl acetate | BCP174

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488196299

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196299

Sorrisi canonici

CC(=O)OCC(COC(=O)C)OCOC(=O)C

IUPAC Name

[3-acetyloxy-2-(acetyloxymethoxy)propyl] acetate

InChIKey

DUOPMEBLLUYTNT-UHFFFAOYSA-N

INCHI

1S/C10H16O7/c1-7(11)14-4-10(5-15-8(2)12)17-6-16-9(3)13/h10H,4-6H2,1-3H3

Isomeri SMILES

CC(=O)OCC(COC(=O)C)OCOC(=O)C

Peso molecolare

248.23

Reaxy-Rn

3549200

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3549200&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyldiacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Carboxylic acid esters Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkyldiacylglycerol - Tricarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 248.230 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 248.09 Da
• Monoisotopic Mass: 248.09 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 256.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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