3-Hydroxy-1-adamantylmethyl difluorosulfoacetate

HCID 57760366
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Basic information

Standard SMILES
O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)O
InChIKey
QGVOWZMNQQHYKQ-UHFFFAOYSA-N
Molecular formula
C13H18F2O6S
Average molar mass
340.34 g/mol

Names & identifiers

Preferred name
3-Hydroxy-1-adamantylmethyl difluorosulfoacetate
IUPAC
1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonic acid

Names & synonyms

SCHEMBL686567QGVOWZMNQQHYKQ-UHFFFAOYSA-N3-hydroxy-1-adamantylmethyl difluorosulfoacetate((3-hydroxy-1-adamantyl)methyl)difluorosulfoacetic acid((3-hydroxy-1-adamantyl)methoxycarbonyl)difluoromethanesulfonic acid

Database identifiers

PubChem CID
57760366

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

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