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butyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (HCID 178452844)|Huagongshe
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Compound
butyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
HCID
178452844
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Basic information
Standard SMILES
CCCCOC(=O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1
InChIKey
MMYYCHBJEGGDLH-UHFFFAOYSA-N
Molecular formula
C14H21N3O7
Average molar mass
343.33 g/mol
Monoisotopic mass
343.13795002
Names & identifiers
IUPAC
butyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
Database identifiers
PubChem CID
13090269
Properties
Computed structural properties
XLogP
0.3
Topological polar surface area
141 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
536
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As solvent
HRID
687307
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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