5'-dGMP - Moligand™ , CAS No.902-04-5

CAS: 902-04-5 Cat. No.: D607215 Número CE: 212-988-2

GRAU & PUREZA Moligand™

Synonyms

2'-Deoxyguanosine-5'-Monophosphate | 7EAM4TG712 | PD006198 | 2'-deoxyguanosine-5'-phosphate | 2'-Deoxyguanylic acid | Deoxy-GMP | SR-01000884012-1 | Deoxyguanosine 5'-phosphate | deoxyguanosine-phosphate | Guanosine, 2'-deoxy-, 5'-(dihydrogen phosphate) (

Storage

Room temperature

Especificações

Sinónimos

2'-Deoxyguanosine-5'-Monophosphate | 7EAM4TG712 | PD006198 | 2'-deoxyguanosine-5'-phosphate | 2'-Deoxyguanylic acid | Deoxy-GMP | SR-01000884012-1 | Deoxyguanosine 5'-phosphate | deoxyguanosine-phosphate | Guanosine, 2'-deoxy-, 5'-(dihydrogen phosphate) (

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Nomes e identificadores

Sorrisos canónicos

C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O

IUPAC Name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

InChIKey

LTFMZDNNPPEQNG-KVQBGUIXSA-N

INCHI

1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

SMILES isoméricas

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O

CAS alternativo

902-04-5,33430-61-4 (di-hydrochloride salt)

Termos de entrada MeSH

2'-deoxyguanosine 5'-monophosphate;2'-deoxyguanosine 5'-phosphate;2'-deoxyguanosine 5'-phosphate, disodium salt;2'-deoxyguanosine 5'-phosphate, ion (1+);2'-dG-5'-MP;deoxyguanosine 5'-monophosphate;dGMP

Reaxy-Rn

58430

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Purine nucleotides
      • Subclass Purine deoxyribonucleotides
        • Level5 Purine deoxyribonucleoside monophosphates
          • Level6 Purine 2'-deoxyribonucleoside monophosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleotides
• Subclass: Purine deoxyribonucleotides
• Intermediate Tree Nodes: Purine deoxyribonucleoside monophosphates
• Direct Parent: Purine 2'-deoxyribonucleoside monophosphates
• Alternative Parents: Purines and purine derivatives Monoalkyl phosphates Hydroxypyrimidines N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside monophosphate - Imidazopyrimidine - Purine - Hydroxypyrimidine - Monoalkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
• External Descriptors: Deoxyribonucleotides

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 347.220 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 347.063 Da
• Monoisotopic Mass: 347.063 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 568.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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