D-(+)-Arabitol - analytical standard , CAS No.488-82-4

CAS: 488-82-4 Cat. No.: A111947 Fórmula: C₅H₁₂O₅ Peso molecular: 152.15 Beilstein Registry Number: 1720520 Número CE: 207-686-2

GRAU & PUREZA Analytical standard

Synonyms

MFCD00070503 | Methyl decenoate | A827623 | D-(+)-Arabitol, >=99% | Lyxitol | ARABITE | SR-01000633502-1 | SR-01000633502-3 | (+)-ARABITOL | AS-11643 | D-lyxo-Pentitol | DTXCID2025979 | Oprea1_838482 | BOA443XF1X | D-Lyxitol | Isobutyl cis-2-methyl-2-bute

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

MFCD00070503 | Methyl decenoate | A827623 | D-(+)-Arabitol, >=99% | Lyxitol | ARABITE | SR-01000633502-1 | SR-01000633502-3 | (+)-ARABITOL | AS-11643 | D-lyxo-Pentitol | DTXCID2025979 | Oprea1_838482 | BOA443XF1X | D-Lyxitol | Isobutyl cis-2-methyl-2-bute

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

Sorrisos canónicos

C(C(C(C(CO)O)O)O)O

IUPAC Name

(2R,4R)-pentane-1,2,3,4,5-pentol

InChIKey

HEBKCHPVOIAQTA-QWWZWVQMSA-N

INCHI

1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

152.15

Beilstein

1720520

Reaxy-Rn

1902256

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar alcohols
• Alternative Parents: Monosaccharides Secondary alcohols Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sugar alcohol - Monosaccharide - Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
• External Descriptors: arabinitol

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

Alvos associados (humanos)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Caenorhabditis elegans (1055 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Rotação específica [α]: 12° (C=5,Sodium borate(8%))
• Ponto de fusão (°C): 97-105°C
• Peso molecular: 152.150 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 152.068 Da
• Monoisotopic Mass: 152.068 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 76.100
• 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