4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Basic information
- CAS
224317-26-4- Standard SMILES
Nc1ccn([C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)n1- InChIKey
UAZJPMMKWBPACD-UXXCCHNYSA-N- Molecular formula
- C10H15N3O4
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.10625597
Names & identifiers
- Preferred name
- 4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
- IUPAC
- 4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
- English name
- CARBODINE
- Molecular formula
- C10H15N3O4
- Molecular weight
- 241.24
Names & synonyms
62805-43-04-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-oneNSC-266519Rel-4-amino-1-((1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)pyrimidin-2(1H)-one4-Amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2(1H)-pyrimidinone224317-26-44-Amino-1-((1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)pyrimidin-2(1H)-one4-Amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2(1H)-one(+)-CarbodineCarbodine, (+)-Carbodine, (+/-)-P5SPB44RK5
Show more names
rel-4-Amino-1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2(1H)-pyrimidinone
CHEMBL1089502SCHEMBL11496044DTXSID50313152TV923Y429FNSC2665194-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dihydropyrimidin-2-one2(1H)-Pyrimidinone, 4-amino-1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-, rel-2(1H)-Pyrimidinone, 4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-
Database identifiers
- CAS
224317-26-4、62805-43-0- PubChem CID
- 320193
- DTXSID
DTXSID50313152- ChEMBL
CHEMBL1089502- UNII
- TV923Y429F
- Nikkaji
- J1.148.921D
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 477 · 477.0±55.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 14.29 · 14.29±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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