laetrile
AlkaPlorer ID: AK325462
Synonym: None
IUPAC Name: (2R)-2-phenyl-2-[(2R,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Structure
SMILES: N#C[C@H](O[C@@H]1OC(CO[C@@H]2OC(CO)[C@@H](O)[C@@H](O)C2O)[C@@H](O)[C@@H](O)C1O)C1=CC=CC=C1
InChI: InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13+,14+,15+,16+,17?,18?,19+,20+/m0/s1
InChIKey: XUCIJNAGGSZNQT-ZPVJLWCPSA-N
Source
Properties Information
Molecule Weight: 457.4320000000001
TPSA？: 202.32
MolLogP？: -3.108019999999997
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
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