5'-O-phosphonoguanylyl-(3'->5')-guanosine , CAS No.33008-99-0

CAS: 33008-99-0 Cat. No.: O1240170 Molecular Weight: 708.4

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C5N=C(NC6=O)N)COP(=O)(O)O)O)O)N=C(NC2=O)N
• IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
• InChIKey: ZEHOHLFQOXAZHX-MHARETSRSA-N
• INCHI: 1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
• Molecular Weight: 708.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class (3'->5')-dinucleotides and analogues
      • Subclass (3'->5')-dinucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: (3'->5')-dinucleotides and analogues
• Subclass: (3'->5')-dinucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: (3'->5')-dinucleotides
• Alternative Parents: Purine ribonucleoside 3',5'-bisphosphates Purine ribonucleoside monophosphates Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines 6-oxopurines Hypoxanthines Monosaccharide phosphates Aminopyrimidines and derivatives Dialkyl phosphates Pyrimidones Monoalkyl phosphates N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (3'->5')-dinucleotide - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Monoalkyl phosphate - Pyrimidone - Aminopyrimidine - Dialkyl phosphate - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Pyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Tetrahydrofuran - Imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as (3'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (3'->5')-phosphodiester linkage.
• External Descriptors: 5'-phospho-(3'->5')-dinucleotide

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

Chemical and Physical Properties

• Molecular Weight: 708.400 g/mol
• XLogP3: -7.800
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 10
• Exact Mass: 708.105 Da
• Monoisotopic Mass: 708.105 Da
• Topological Polar Surface Area: 372.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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