Pentanoic acid, 5-(4-(2,4,7-triaminopteridin-6-yl)phenoxy)-, propyl ester
Basic information
- CAS
167224-20-6- Standard SMILES
CCCOC(=O)CCCCOc1ccc(-c2nc3c(N)nc(N)nc3nc2N)cc1- InChIKey
ZHFNFZCSEJGXHR-UHFFFAOYSA-N- Molecular formula
- C20H25N7O3
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.20188768
Names & identifiers
- Preferred name
- Pentanoic acid, 5-(4-(2,4,7-triaminopteridin-6-yl)phenoxy)-, propyl ester
- IUPAC
- propyl 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoate
- English name
- propyl 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoate
- Molecular formula
- C20H25N7O3
- Molecular weight
- 411.46
Names & synonyms
167224-20-6Pentanoic acid, 5-(4-(2,4,7-triaminopteridin-6-yl)phenoxy)-, propyl esterPropyl 5-(4-(2,4,7-triaminopteridin-6-yl)phenoxy)pentanoatepropyl 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoateDTXSID60168256RefChem:368224DTXCID1090747Pentanoic acid, 5-[4-(2,4,7-triamino-6-pteridinyl)phenoxy]-, propyl ester
Database identifiers
- CAS
167224-20-6- PubChem CID
- 3074883
- DTXSID
DTXSID60168256- Nikkaji
- J664.164D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Boiling point
- 662.2 · 662.2±65.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- pka
- 6.34 · 6.34±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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