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ddGTP

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C10H16N5O12P3 · 491.18 g/mol

IUPAC name: [[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Also called dideoxyguanosine triphosphate, ddNTP

Nucleic acid partsReagents
Open in Athanor
The structure of ddGTP
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Synonyms
dideoxyguanosine triphosphate, ddNTP, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE
+ 33 more

Dideoxy guanosine triphosphate, CHEMBL54224, 2,3-Dideoxyguanosine-5-triphosphate, [[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, DG3, 2`,3`-Dideoxy-guanosine 5`-(Tetrahydrogen Triphosphate), 2',3'-Dideoxyguanosine-5'-triphosphate, dd-GTP, 2',3'-dideoxy-GTP, orb65372, SCHEMBL80109, orb638823, 2',3'-DdGTP, orb1690340, orb1733964, orb1734209, orb2702616, orb2702617, EX-A9031W, HDRRAMINWIWTNU-NTSWFWBYSA-N, DTXSID101364874, 2',3'-Dideoxyguanosine triphosphate, BDBM50369390, AKOS040758293, ND32065, DA-52369, HY-134103, CS-0138084, H53311, Q27459217, Guanosine, 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-, 2',3'-Dideoxyguanosine-5'-triphosphate lithium salt - 100mM aqueous solution, [[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

Molecular formula
C10H16N5O12P3
Empirical formula
C10H16N5O12P3
Molecular weight
491.18 g/mol
Exact mass
491.00083
CAS number
93039-01-5
PubChem CID
135430795
Canonical SMILES
C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=C(NC3=O)N
Isomeric SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H16N5O12P3/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1
InChIKey
HDRRAMINWIWTNU-NTSWFWBYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
30
Rings
3
Aromatic rings
2
Fraction sp³ carbons (Fsp3)
0.5
H-bond donors
6
H-bond acceptors
11 computed here · PubChem 14
Rotatable bonds
8
TPSA (Ų)
258.6 computed here · PubChem 254
Formal charge
0
XLogP3
-4.2 PubChem
Complexity
864 PubChem
Stereocenters
2 defined, 2 undefinedCIP: C9: R · C12: S · P15: undefined · P19: undefined
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C24.45%
  • H3.28%
  • N14.26%
  • O39.09%
  • P18.92%

Isotope pattern

100%491.00113%492.0033.3%493.005494.008

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-0.28 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-2.4 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.41 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 491.18
  • log P ≤ 5 (Crippen): -0.28
  • H-bond donors ≤ 5: 6
  • H-bond acceptors ≤ 10: 11

Breaks 2 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: Alfa Chemistry, Angene Chemical, Biorbyt.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.