meso-Erythritol - ≥99% , CAS No.149-32-6

CAS: 149-32-6 Cat. No.: E105712 Molecular Weight: 122.12 Beilstein Registry Number: 1719753 EC Number: 205-737-3

GRADE & PURITY ≥99%

Synonyms

Tetrahydroxybutane | (2R,3S)-rel-Butane-1,2,3,4-tetraol | ERYTHRITOL [INCI] | ERYTHRITOL [MART.] | Erythroglucin | FT-0625251 | A0116 | BUTANE 1,2,3,4-TETROL (MESO-ERYTHRITOL) | CCRIS 7901 | ERYTHRITOL (EP MONOGRAPH) | Erythrol (VAN) | (2r,3s)-butane-1,2,

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Tetrahydroxybutane | (2R, 3S)-rel-Butane-1, 2, 3, 4-tetraol | ERYTHRITOL [INCI] | ERYTHRITOL [MART.] | Erythroglucin | FT-0625251 | A0116 | BUTANE 1, 2, 3, 4-TETROL (MESO-ERYTHRITOL) | CCRIS 7901 | ERYTHRITOL (EP MONOGRAPH) | Erythrol (VAN) | (2r, 3s)-butane-1, 2,

Specifications & Purity

≥99%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504757911
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757911
• Canonical Smiles: C(C(C(CO)O)O)O
• IUPAC Name: (2S,3R)-butane-1,2,3,4-tetrol
• InChIKey: UNXHWFMMPAWVPI-ZXZARUISSA-N
• INCHI: 1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
• Isomeric SMILES: C([C@H]([C@H](CO)O)O)O
• WGK Germany: 3
• RTECS: KF2000000
• Molecular Weight: 122.12
• Beilstein: 1719753
• Reaxy-Rn: 1735878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735878&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: Secondary alcohols Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sugar alcohol - 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: butane-1,2,3,4-tetrol

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)

SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (0.1 g/ml).
• Sensitivity: Moisture sensitive.
• Boil Point(°C): 329-331°C
• Melt Point(°C): 121.5°C
• Molecular Weight: 122.120 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 122.058 Da
• Monoisotopic Mass: 122.058 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 48.000
• 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

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