(+)-Valienamine Hydrochloride , CAS No.38231-86-6

CAS: 38231-86-6 Cat. No.: V338714 Formula: C7H13NO4.HCl Peso molecolare: 211.64 PubChem CID: 193758

Synonyms

(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol | HY-131504A | C(7)-CYCLITOL | Valienamine | Q427997 | BDBM50366472 | W-202570 | XPHOBMULWMGEBA-VZFHVOOUSA-N | DB02120 | A824072 | AKOS006294151 | DTXSID80191622 | 6-AMINO-4-HYDROXYMETHYL-C

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

(+)-Valienamine Hydrochloride is a Glucosidase inhibitor that does not anomerise and undergo hydrolysis.

Specifications

Sinonimi

(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol | HY-131504A | C(7)-CYCLITOL | Valienamine | Q427997 | BDBM50366472 | W-202570 | XPHOBMULWMGEBA-VZFHVOOUSA-N | DB02120 | A824072 | AKOS006294151 | DTXSID80191622 | 6-AMINO-4-HYDROXYMETHYL-C

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Nomi e identificatori

Sorrisi canonici

C1=C(C(C(C(C1N)O)O)O)CO

IUPAC Name

(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

InChIKey

XPHOBMULWMGEBA-VZFHVOOUSA-N

INCHI

1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1

Isomeri SMILES

C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO

PubChem CID

193758

Peso molecolare

211.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Cyclic alcohols and derivatives
          • Level6 Cyclitols and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Cyclic alcohols and derivatives
• Direct Parent: Cyclitols and derivatives
• Alternative Parents: Secondary alcohols Polyols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclitol or derivatives - Secondary alcohol - Polyol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms. These of also include derivatives where the hydrogen atom of one or more of the hydroxyl groups is replaced with another atom.
• 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

Obiettivi associati (umani)

MGAM Tclin Maltase-glucoamylase (654 Activities)

Discover Target: MGAM

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

SI Tchem Sucrase-isomaltase (84 Activities)

Discover Target: SI

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Water
• Peso molecolare: 175.180 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 175.084 Da
• Monoisotopic Mass: 175.084 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 194.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Domande frequenti

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 38231-86-6, the molecular formula is C7H13NO4.HCl, and the molecular weight is 211.64 g/mol. InChIKey XPHOBMULWMGEBA-VZFHVOOUSA-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.