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undecyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (HCID 178443344)|Huagongshe
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Compound
undecyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
HCID
178443344
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Basic information
Standard SMILES
CCCCCCCCCCCOC(=O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1
InChIKey
WLZFLWGXEAHKQW-UHFFFAOYSA-N
Molecular formula
C21H35N3O7
Average molar mass
441.5 g/mol
Monoisotopic mass
441.24750046
Names & identifiers
IUPAC
undecyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
Database identifiers
PubChem CID
13090286
Properties
Computed structural properties
XLogP
4.1
Topological polar surface area
141 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
14
Heavy atoms
31
Formal charge
0
Complexity
640
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1 records
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As solvent
HRID
195408
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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