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2D Structure
Also known as: 9007-49-2, [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, Deoxyribonucleic acid sodium salt (salmon milt),, Dtxsid20864161, Bcp33624, Mfcd00283430
Molecular Formula
C15H31N3O13P2
Molecular Weight
523.37  g/mol
InChI Key
AWBASQCACWFTGD-UHFFFAOYSA-N

A deoxyribonucleotide polymer that is the primary genetic material of all cells. Eukaryotic and prokaryotic organisms normally contain DNA in a double-stranded state, yet several important biological processes transiently involve single-stranded regions. DNA, which consists of a polysugar-phosphate backbone possessing projections of purines (adenine and guanine) and pyrimidines (thymine and cytosine), forms a double helix that is held together by hydrogen bonds between these purines and pyrimidines (adenine to thymine and guanine to cytosine).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 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
2.1.2 InChI
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)
2.1.3 InChI Key
AWBASQCACWFTGD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(C(OC1N)COP(=O)(O)OC2CC(OC2COP(=O)(O)OC3CC(OC3CO)N)N)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Dna

2. Dna, Double Stranded

3. Dna, Double-stranded

4. Double-stranded Dna

5. Ds Dna

6. Ds-dna

2.2.2 Depositor-Supplied Synonyms

1. 9007-49-2

2. [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

3. Deoxyribonucleic Acid Sodium Salt (salmon Milt),

4. Dtxsid20864161

5. Bcp33624

6. Mfcd00283430

7. Dna, Double Stranded;double-stranded Dna

8. Ft-0624518

9. 5-amino-2-({[{[5-amino-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl (5-amino-3-hydroxyoxolan-2-yl)methyl Hydrogen Phosphate (non-preferred Name)

2.3 Create Date
2009-08-08
3 Chemical and Physical Properties
Molecular Weight 523.37 g/mol
Molecular Formula C15H31N3O13P2
XLogP3-10.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area258
Heavy Atom Count33
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1