Tcn-P - ≥98% , CAS No.61966-08-3

CAS: 61966-08-3 Cat. No.: T1362866 分子式: C₁₃H₁₇N₆O₇P 分子量: 400.28 PubChem CID: 43860

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

製品の性質

• ALogP: -3.3

名前と識別子

• カノニカル・スマイル: CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)COP(=O)(O)O)O)O)C(=N1)N
• IUPAC Name: [(2R,3S,4R,5R)-5-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• InChIKey: URLYINUFLXOMHP-HTVVRFAVSA-N
• INCHI: 1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1
• 異性体SMILES: CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N
• 代替CAS番号: 61966-08-3
• PubChem CID: 43860
• MeSH用語: 1,4,5,6,8-pentaazaacenaphthylene-3-amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl 5'-phosphate ester;NSC 280594;NSC-280594;TCN-monophosphate;TCN-P;TCNP;triciribine phosphate
• 分子量: 400.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses
            • Level7 Pentose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Pentoses
• Direct Parent: Pentose phosphates
• Alternative Parents: Glycosylamines Monosaccharide phosphates Pyrrolo[3,4-d]pyridazines Pyrrolo[2,3-d]pyrimidines Aminopyridazines Monoalkyl phosphates Substituted pyrroles Pyrimidines and pyrimidine derivatives Imidolactams Tetrahydrofurans Heteroaromatic compounds 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Pyrrolo[3,4-d]pyridazine - Aminopyridazine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyridazine - Pyrimidine - Substituted pyrrole - Alkyl phosphate - Imidolactam - Pyrrole - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Primary amine - Amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
• 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

化学的性質と物理的性質

• 分子量: 400.280 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 400.09 Da
• Monoisotopic Mass: 400.09 Da
• Topological Polar Surface Area: 189.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 663.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 61966-08-3, the molecular formula is C13H17N6O7P, and the molecular weight is 400.28 g/mol. InChIKey URLYINUFLXOMHP-HTVVRFAVSA-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.