Adenine phosphate - ≥99% , CAS No.70700-30-0

CAS: 70700-30-0 Cat. No.: A112747 Peso molecular: 233.12 Número EC: 633-221-1

GRADE & PURITY ≥99%

Synonyms

AKOS015961504 | METHYL4-(3,4-DIAMINOPHENOXY)BENZENECARBOXYLATE | A852108 | AKOS015895413 | EINECS 257-702-7 | W-203889 | AM83910 | 6-Aminopurine phosphate | (3S,2R,4R,5R)-5-(4-amino-2-oxohydropyrimidinyl)-4-hydroxy-2-(hydroxymethyl)oxo lan-3-yl dihydrogen

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015961504 | METHYL4-(3, 4-DIAMINOPHENOXY)BENZENECARBOXYLATE | A852108 | AKOS015895413 | EINECS 257-702-7 | W-203889 | AM83910 | 6-Aminopurine phosphate | (3S, 2R, 4R, 5R)-5-(4-amino-2-oxohydropyrimidinyl)-4-hydroxy-2-(hydroxymethyl)oxo lan-3-yl dihydrogen

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, Desiccated, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488188587
• Sonrisas canónicas: C1=NC2=NC=NC(=C2N1)N.OP(=O)(O)O
• IUPAC Name: phosphoric acid;7H-purin-6-amine
• InChIKey: CCHNOBQMQBSRHQ-UHFFFAOYSA-N
• INCHI: 1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)
• Isómeros SMILES: C1=NC2=NC=NC(=C2N1)N.OP(=O)(O)O
• Peso molecular: 233.12
• Reaxy-Rn: 35268203
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35268203&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Organic phosphoric acids and derivatives Imidolactams Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Organic phosphoric acid derivative - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organic oxide - Primary amine - Organonitrogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 261-263°C
• Peso molecular: 233.120 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 233.031 Da
• Monoisotopic Mass: 233.031 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

Referencias

1. Siying Lin, Huiyuan Meng, Qi Li, Xudong Xiao, Huiquan Gu, Ying Xie, Baojiang Jiang.  (2025)  Asymmetric P-N3 bonds in polymeric carbon nitride: Polarizing localized charge for efficient photocatalytic hydrogen evolution and selective alcohol oxidation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39889397] [10.1016/j.jcis.2025.01.213]