Basic information
- CAS
29868-39-1- Standard SMILES
Nc1ncnc2c1ncn2CC1OC(CO)C(O)C1O- InChIKey
LYHALGWGJNNIHO-UHFFFAOYSA-N- Molecular formula
- C11H15N5O4
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.11240398
Names & identifiers
- Preferred name
- 1-(6-Amino-9h-purin-9-yl)-2,5-anhydro-1-deoxyhexitol
- IUPAC
- 2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 9-(β-D-Ribofuranosylmethyl)-9H-purine-6-amine
- Molecular formula
- C11H15N5O4
- Molecular weight
- 281.27
Names & synonyms
29868-39-11-(6-amino-9h-purin-9-yl)-2,5-anhydro-1-deoxyhexitolNSC133720DTXSID50299927NSC-1337209-(β-D-Ribofuranosylmethyl)-9H-purine-6-amine1-(6-Amino-9H-purin-9-yl)-2,5-anhydro-1-deoxy-D-allitolD-Allitol, 1-(6-amino-9H-purin-9-yl)-2,5-anhydro-1-deoxy-
Database identifiers
- CAS
29868-39-1- PubChem CID
- 281161
- DTXSID
DTXSID50299927
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 200 · 200-201.5 °C
- Boiling point
- 655.1 · 655.1±65.0 °C(Predicted)
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- pka
- 13.54 · 13.54±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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