Deoxyribonucleic Acid Sodium Salt - from Salmon Milt , CAS No.9007-49-2

CAS: 9007-49-2 Cat. No.: D404592 EG-Nummer: 805-335-3 PubChem CID: 44135672

GRADE & PURITY from Salmon Milt

Synonyms

Thymonucleic Acid Sodium Salt from Salmon Milt

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Synonyme

Thymonucleic Acid Sodium Salt from Salmon Milt

Spezifikationen & Reinheit

from Salmon Milt

Storage

Room temperature,Cool

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

488200967

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200967

Kanonisches Lächeln

C1C(C(OC1N)COP(=O)(O)OC2CC(OC2COP(=O)(O)OC3CC(OC3CO)N)N)O

IUPAC Name

[5-amino-2-[[[5-amino-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] (5-amino-3-hydroxyoxolan-2-yl)methyl hydrogen phosphate

InChIKey

AWBASQCACWFTGD-UHFFFAOYSA-N

INCHI

1S/C15H31N3O13P2/c16-13-1-7(20)11(28-13)5-25-32(21,22)31-9-3-15(18)29-12(9)6-26-33(23,24)30-8-2-14(17)27-10(8)4-19/h7-15,19-20H,1-6,16-18H2,(H,21,22)(H,23,24)

Isomere SMILES

C1C(C(OC1N)COP(=O)(O)OC2CC(OC2COP(=O)(O)OC3CC(OC3CO)N)N)O

RTECS

HG1933000

PubChem CID

44135672

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Monosaccharides
          • Ebene6 Pentoses
            • Ebene7 Pentose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Pentoses
• Direct Parent: Pentose phosphates
• Alternative Parents: Monosaccharide phosphates Dialkyl phosphates Oxolanes Secondary alcohols Hemiaminals Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentose phosphate - Monosaccharide phosphate - Dialkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Oxolane - Secondary alcohol - Hemiaminal - Oxacycle - Organoheterocyclic compound - Alcohol - Primary alcohol - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 523.370 g/mol
• XLogP3: -10.200
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 523.133 Da
• Monoisotopic Mass: 523.133 Da
• Topological Polar Surface Area: 258.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 750.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 9
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1