(2R,3S,4R,5R,6S)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol

HCID 70683051
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Basic information

Standard SMILES
OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1Cl
InChIKey
BAQAVOSOZGMPRM-KBFHZYTNSA-N
Molecular formula
C12H19Cl3O8
Average molar mass
397.6 g/mol
Monoisotopic mass
396.014551

Names & identifiers

Preferred name
(2R,3S,4R,5R,6S)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
IUPAC
(2R,3S,4R,5R,6S)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol

Names & synonyms

SCHEMBL29382002BAQAVOSOZGMPRM-KBFHZYTNSA-N

Database identifiers

PubChem CID
70683051

Properties

Computed structural properties

XLogP
-1.5
Topological polar surface area
129 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
23

Related reactions

8 records
New reaction record

Compound notes

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