ol

• ChemBase ID: 209188
• Molecular Formular: C25H40NO5
• Molecular Mass: 434.5888
• Monoisotopic Mass: 434.29064839
• SMILES: C12(N(C(CO1)(C)C)[O])CC1[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@@H](OC(=O)C)CC4)(CC3)C)C[C@@H]1O)(CC2)C
• Canonical SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H](C2[C@]1(C)CCC1(C2)OCC(N1[O])(C)C)O
• InChI: InChI=1S/C25H40NO5/c1-15(27)31-21-7-6-17-16-12-20(28)19-13-25(26(29)22(2,3)14-30-25)11-10-23(19,4)18(16)8-9-24(17,21)5/h16-21,28H,6-14H2,1-5H3/t16-,17-,18-,19?,20-,21-,23+,24-,25?/m0/s1
• InChIKey: HSNHEWPTHWDUDJ-JDEQUPBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)

Database IDs

• PubChem SID: 164265098
• PubChem CID: 16402650

CALCULATED PROPERTIES

• Acid pKa: 14.915969
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.8866198
• LogD (pH = 7.4): 2.8866198
• Log P: 2.8866198
• Molar Refractivity: 115.9775 cm^3
• Polarizability: 46.947056 Å^3
• Polar Surface Area: 59.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds