Basic information
- CAS
113852-35-0- Standard SMILES
Nc1nc(N)c2ncn(C[C@@H](CO)OCP(=O)(O)O)c2n1- InChIKey
XGTJCNSZEASLLL-YFKPBYRVSA-N- Molecular formula
- C9H15N6O5P
- Average molar mass
- 318.23 g/mol
- Monoisotopic mass
- 318.0841546
Overview
RN refers to (S)-isomer
Names & identifiers
- Preferred name
- 9-(3-Hydroxy-2-phosphonomethoxypropyl)-2,6-diaminopurine
- IUPAC
- [(2S)-1-(2,6-diaminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
- English name
- 9-(3-hydroxy-2-phosphonomethoxypropyl)-2,6-diaminopurine
- Molecular formula
- C9H15N6O5P
- Molecular weight
- 318.23
Names & synonyms
Hpmpdap113852-35-09-(3-Hydroxy-2-phosphonomethoxypropyl)-2,6-diaminopurine9-(3-Hydroxy-2-(phosphonylmethoxy)propyl)-2,6-diaminopurineRefChem:107659({[(2s)-1-(2,6-diamino-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid(S)-HPMPDAPSCHEMBL172847CHEMBL261240SCHEMBL29450587DTXSID70921218(S)-((2-(2,6-Diamino-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy)methyl)phosphonic acid
Show more names
Phosphonic acid, P-[[(1S)-2-(2,6-diamino-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-
(s)-9-[3-hydroxy-2-(phosphonomethoxy)propyl]-2,6-diaminopurine9-[(2S)-3-Hydroxy-2-phosphonylmethoxylpropyl]-2,6-diaminopurine[(1S)-1-[(2,6-diaminopurin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acidPhosphonic acid, ((2-(2,6-diamino-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-Phosphonic acid, [[(1S)-2-(2,6-diamino-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-({[(2S)-1-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid({[1-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 832.725 · 832.725±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.052 · 2.052±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.988 · 6.988±0.30(predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
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Compound notes
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