A3P5PS - Moligand™, ≥98% , CAS No.482-67-7

CAS: 482-67-7 Cat. No.: A607295 分子式: C₁₀H₁₅N₅O₁₃P₂S 分子量: 507.26 EC番号: 694-699-5 PubChem CID: 10214

GRADE & PURITY Moligand™, ≥98%

Synonyms

9H-purin-6-amine, 9-[5-O-[hydroxy(sulfooxy)phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]- | J-002280 | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE | 5-Phosphoadenosine 3-phosphosulphate | Adenosine 3'-phosphate 5'-phosphosulfate lithium salt | CHEBI:179

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

9H-purin-6-amine, 9-[5-O-[hydroxy(sulfooxy)phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]- | J-002280 | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE | 5-Phosphoadenosine 3-phosphosulphate | Adenosine 3'-phosphate 5'-phosphosulfate lithium salt | CHEBI:179

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• カノニカル・スマイル: O[C@@H]1[C@H](OP(=O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OS(=O)(=O)O)O
• IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
• InChIKey: GACDQMDRPRGCTN-KQYNXXCUSA-N
• INCHI: 1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
• 異性体SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N
• PubChem CID: 10214
• 分子量: 507.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 分類 Purine nucleotides
      • Subclass Purine ribonucleotides
        • Level5 Purine ribonucleoside bisphosphates
          • Level6 Purine ribonucleoside 3',5'-bisphosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Purine ribonucleoside bisphosphates
• Direct Parent: Purine ribonucleoside 3',5'-bisphosphates
• Alternative Parents: Purine ribonucleoside monophosphates Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Aminopyrimidines and derivatives Monoalkyl phosphates N-substituted imidazoles Imidolactams Tetrahydrofurans Organic sulfuric acids and derivatives Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside monophosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Alkyl phosphate - Pyrimidine - Tetrahydrofuran - Organic sulfuric acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Primary amine - Amine - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety.
• External Descriptors: Coenzymes

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: 507.270 g/mol
• XLogP3: -5.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 506.986 Da
• Monoisotopic Mass: 506.986 Da
• Topological Polar Surface Area: 284.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 852.000
• 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

参考文献

1. Mingzhu Yan, Qanli Zhang, Shuyao Yang, Liang Yin, Jiaying Wang, Weidong Liu, Jian Gao, Jinshan Li.  (2026)  Discovery and engineering of chicken sulfotransferase SULT1B1 from Bambusicola thoracicus.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:41547513] [10.1016/j.ijbiomac.2026.150271]