N(4)-(4-carboxybutyryl)-1-beta-arabinofuranosylcytosine
Basic information
- CAS
55726-38-0- Standard SMILES
O=C(O)CCCC(=O)Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1- InChIKey
CRYKZBGMEOSART-LDDHNJQWSA-N- Molecular formula
- C14H19N3O8
- Average molar mass
- 357.32 g/mol
- Monoisotopic mass
- 357.11721457
Overview
structure given in first source
Names & identifiers
- Preferred name
- N(4)-(4-carboxybutyryl)-1-beta-arabinofuranosylcytosine
- IUPAC
- 5-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid
- English name
- N(4)-(4-carboxybutyryl)-1-beta-arabinofuranosylcytosine
- Molecular formula
- C14H19N3O8
- Molecular weight
- 357.32
Names & synonyms
Glu-ara-C55726-38-0N(4)-(4-Carboxybutyryl)-1-beta-arabinofuranosylcytosineN4-(4-Carboxybutyryl)-ara-CRefChem:1606815-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acidSCHEMBL29420181DTXSID509710944-[(4-Carboxybutanoyl)imino]-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol1-D-Arabinofuranosyl-4-[(4-carboxybutanoyl)imino]-1,4-dihydropyrimidin-2-olPentanoic acid, 5-((1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino)-5-oxo-Pentanoic acid, 5-[(1-β-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-5-oxo- (9CI)
Database identifiers
- CAS
55726-38-0- PubChem CID
- 124305
- DTXSID
DTXSID50971094
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
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Related reactions
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Compound notes
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