(2S,5R,7S,14R,15S)-5-amino-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-ol hydrochloride

• ChemBase ID: 186141
• Molecular Formular: C19H34ClNO
• Molecular Mass: 327.93236
• Monoisotopic Mass: 327.23289239
• SMILES: [C@]12(C3C(C4[C@](CC3)([C@@H](CC4)O)C)CC[C@H]1C[C@@H](CC2)N)C.Cl
• Canonical SMILES: N[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C.Cl
• InChI: InChI=1S/C19H33NO.ClH/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;/h12-17,21H,3-11,20H2,1-2H3;1H/t12-,13+,14?,15?,16?,17+,18-,19-;/m0./s1
• InChIKey: GYQZNNAZXVKYOR-CYPYZECISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5R,7S,14R,15S)-5-amino-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol hydrochloride
• IUPAC Traditional name: (2S,5R,7S,14R,15S)-5-amino-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol hydrochloride

Database IDs

• PubChem SID: 164242051
• PubChem CID: 24747352

CALCULATED PROPERTIES

• Acid pKa: 19.377705
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.069035046
• LogD (pH = 7.4): 0.3582804
• Log P: 3.096875
• Molar Refractivity: 86.2887 cm^3
• Polarizability: 34.968956 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds