Basic information
- CAS
70363-52-9- Standard SMILES
COC(=O)NC(C(=O)OC)C(O)Cc1c(C)nc2n(C)c3nc[nH]c3c(=O)n12- InChIKey
FSOHCNGSHOAUED-UHFFFAOYSA-N- Molecular formula
- C16H20N6O6
- Average molar mass
- 392.37 g/mol
- Monoisotopic mass
- 392.14443238
Overview
structure
Names & identifiers
- Preferred name
- hydroxy-Y base
- IUPAC
- methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroxy-2-(methoxycarbonylamino)butanoate
- English name
- hydroxy-Y base
- Molecular formula
- C16H20N6O6
- Molecular weight
- 392.37
Names & synonyms
Hydroxy-Y base70363-52-9alpha-(Carboxyamino)-beta-hydroxy-4,9-dihydro-4,6-dimethyl-9-oxo-1H-imidazo(1,2-a)purine-7-butyric acid dimethyl ester1H-Imidazo(1,2-a)purine-7-butanoic acid, 4,9-dihydro-beta-hydroxy-alpha-((methoxycarbonyl)amino)-4,6-dimethyl-9-oxo-, methyl esterRefChem:147126methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroxy-2-(methoxycarbonylamino)butanoateDTXSID00990558Methyl 4-(4,6-dimethyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)-N-[hydroxy(methoxy)methylidene]threoninate3H-Imidazo[1,2-a]purine-7-butanoic acid, 4,9-dihydro-β-hydroxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-, methyl ester
Database identifiers
- CAS
70363-52-9- PubChem CID
- 194342
- DTXSID
DTXSID00990558- Nikkaji
- J403.968H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 10.39 · 10.39±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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