9H-Purin-6-amine, 9-hexulofuranosyl-
Basic information
- CAS
1874-54-0- Standard SMILES
Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O- InChIKey
BNZYRKVSCLSXSJ-UHFFFAOYSA-N- Molecular formula
- C11H15N5O5
- Average molar mass
- 297.27 g/mol
- Monoisotopic mass
- 297.1073186
Overview
See also: 1'-C-(Hydroxymethyl)adenosine (annotation moved to).
Names & identifiers
- Preferred name
- 9H-Purin-6-amine, 9-hexulofuranosyl-
- IUPAC
- 2-(6-aminopurin-9-yl)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
- English name
- 9H-Purin-6-amine, 9-hexulofuranosyl-
- Molecular formula
- C11H15N5O5
- Molecular weight
- 297.27
Names & synonyms
7558-29-4sodium tripoliphosphateRefChem:3135549H-Purin-6-amine, 9-hexulofuranosyl-616-236-86-Amino-9-D-psicofuranosylpurine2-(6-aminopurin-9-yl)-2,5-bis(hydroxymethyl)oxolane-3,4-diol9-.beta.-D-PsicofuranosyladenineNSC53104Adenine, 9-.beta.-D-psicofuranosyl-U 95869H-Purin-6-amine, 9-.beta.-D-psicofuranosyl-
Show more names
9H-Purin-6-amine, 9-hexulofuranosyl- (9CI)
1'-(Hydroxymethyl)adenosine9H-Purine, 6-amino-9-.beta.-D-psicofuranosyl-6936-84-1NSC 531042-(6-amino-9h-purin-9-yl)hex-2-ulofuranosyl9-.beta.-D-Psicofuranosyl-9H-purin-6-amineSCHEMBL691066CHEMBL2004810
Database identifiers
- CAS
1874-54-0、6936-84-1、7558-29-4- PubChem CID
- 237254
- DTXSID
DTXSID00871853- ChEMBL
CHEMBL2004810- EC Number
- 616-236-8
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 720.1 · 720.1±70.0 °C(Predicted)
- Density
- 2.02 · 2.02±0.1 g/cm3(Predicted)
- pka
- 12.87 · 12.87±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information9H-Purin-6-amine, 9-hexulofuranosyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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Compound notes
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