1,5,-IP₂ - Moligand™ , CAS No.I607071

CAS: I607071 Cat. No.: I607071 PubChem CID: 128419

GRADE & PURITY Moligand™

Synonyms

DTXSID60869397 | Inositol 1,3-diphosphate | C04062 | Q27102919 | D-myo-Inositol 1,3-bisphosphate | [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate | GTPL5099 | CHEBI:18225 | Inositol 1,3-bisphosphate | SCHEMBL9872231 | (

Storage

Room temperature

Specifications

Synonyme

DTXSID60869397 | Inositol 1,3-diphosphate | C04062 | Q27102919 | D-myo-Inositol 1,3-bisphosphate | [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate | GTPL5099 | CHEBI:18225 | Inositol 1,3-bisphosphate | SCHEMBL9872231 | (

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: OC1[C@H](OP(=O)(O)O)[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)O)O)O
• IUPAC Name: [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
• InChIKey: PUVHMWJJTITUGO-WJPCITMWSA-N
• INCHI: 1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-
• Isomere SMILES: [C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
• PubChem CID: 128419

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Cyclic alcohols and derivatives
          • Ebene6 Cyclitols and derivatives
            • Ebene7 Inositol phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Cyclic alcohols and derivatives - Cyclitols and derivatives
• Direct Parent: Inositol phosphates
• Alternative Parents: Monoalkyl phosphates Cyclohexanols Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Inositol phosphate - Monoalkyl phosphate - Cyclohexanol - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 340.120 g/mol
• XLogP3: -5.900
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 339.996 Da
• Monoisotopic Mass: 339.996 Da
• Topological Polar Surface Area: 214.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 390.000
• 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

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is I607071. InChIKey PUVHMWJJTITUGO-WJPCITMWSA-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.