| Identification | Back Directory | [Name]
D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(4-fluorophenyl)-4-(hydroxymethyl)-1-(1H-1,2,4-triazol-1-yl)- | [CAS]
1978305-26-8 | [Synonyms]
Posaconazole Impurity 164
D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(4-fluorophenyl)-4-(hydroxymethyl)-1-(1H-1,2,4-triazol-1-yl)- | [Molecular Formula]
C14H16FN3O2 | [MOL File]
1978305-26-8.mol | [Molecular Weight]
277.29 |
| Chemical Properties | Back Directory | [Boiling point ]
462.8±55.0 °C(Predicted) | [density ]
1.35±0.1 g/cm3(Predicted) | [pka]
14.81±0.10(Predicted) | [InChI]
InChI=1/C14H16FN3O2/c15-13-3-1-12(2-4-13)14(5-11(6-19)7-20-14)8-18-10-16-9-17-18/h1-4,9-11,19H,5-8H2/t11-,14+/s3 | [InChIKey]
SSXYWVPZKZMMLF-LNBRXUOKNA-N | [SMILES]
N1=CN(C[C@@]2(C3=CC=C(F)C=C3)OC[C@@H](CO)C2)N=C1 |&1:4,14,r| |
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