5-((6-Amino-9H-purin-9-yl)methyl)dihydro-5-methyl-3-methylene-2(3H)-furanone
Basic information
- CAS
105970-03-4- Standard SMILES
C=C1CC(C)(Cn2cnc3c(N)ncnc32)OC1=O- InChIKey
FCZOVUJWOBSMSS-UHFFFAOYSA-N- Molecular formula
- C12H13N5O2
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.10692467
Overview
RN & structure given in first source; RN not in Chemline 4/87
Names & identifiers
- Preferred name
- 5-((6-Amino-9H-purin-9-yl)methyl)dihydro-5-methyl-3-methylene-2(3H)-furanone
- IUPAC
- 5-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylideneoxolan-2-one
- English name
- 9((2-methyl-4-methylene-5-oxotetrahydrofuran-2-yl)methyl)adenine
- Molecular weight
- 0
Names & synonyms
105970-03-49-Mmofa9((2-Methyl-4-methylene-5-oxotetrahydrofuran-2-yl)methyl)adenineRefChem:9130665-((6-Amino-9H-purin-9-yl)methyl)dihydro-5-methyl-3-methylene-2(3H)-furanoneNSC606494Adenine derivative5'-Methyl-5'-(adenin-9-ylmethyl)-2'-oxo- 3'-methylenetetrahydrofuran5-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylideneoxolan-2-oneCHEMBL155312DTXSID609098435-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-methylideneoxolan-2-one
Show more names
NSC-6064945-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylene-tetrahydrofuran-2-one2(3H)-Furanone, 5-((6-amino-9H-purin-9-yl)methyl)dihydro-5-methyl-3-methylene-5-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-methylenedihydro-2(3H)-furanone
Database identifiers
- CAS
105970-03-4- PubChem CID
- 129160
- DTXSID
DTXSID60909843
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 415
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Related reactions
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Compound notes
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