Basic information
- CAS
107053-43-0- Standard SMILES
Nc1ncnc2c1ncn2CC=C(CO)CO- InChIKey
GVACIKDVFKGHHK-UHFFFAOYSA-N- Molecular formula
- C10H13N5O2
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.10692467
Overview
RN refers to HCl; RN & structure given in first source
Names & identifiers
- Preferred name
- 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
- IUPAC
- 2-[2-(6-aminopurin-9-yl)ethylidene]propane-1,3-diol
- English name
- 9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
- Molecular weight
- 0
Names & synonyms
9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine9-Hhmba107053-43-0DTXSID70147890RefChem:107679DTXCID30703812-[2-(6-aminopurin-9-yl)ethylidene]propane-1,3-diolCHEMBL49908NSC607866114979-10-12-[2-(6-amino-9H-purin-9-yl)ethylidene]propane-1,3-diolBDBM50023879
Show more names
NSC-6078662-[2-(6-Amino-purin-9-yl)-ethylidene]-propane-1,3-diol
Database identifiers
- CAS
107053-43-0- PubChem CID
- 147104
- DTXSID
DTXSID70147890- ChEMBL
CHEMBL49908- Nikkaji
- J365.662D
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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