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

CAS: 488-82-4 Cat. No.: A111947 Formula: C₅H₁₂O₅ Molecular Weight: 152.15 Beilstein Registry Number: 1720520 EC Number: 207-686-2

GRADE & PURITY 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

Specifications

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

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

3

Molecular Weight

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
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Caenorhabditis elegans (1055 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• x_specific_rotation: 12° (C=5,Sodium borate(8%))
• x_melt_point_char: 97-105°C
• Molecular Weight: 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