(3S)-1-{2-[(4-Methoxytrityl)Oxy]Ethyl}-3-Piperidinecarboxylic Acid
[CAS# 157604-55-2]

Identification

• Name: (3S)-1-{2-[(4-Methoxytrityl)Oxy]Ethyl}-3-Piperidinecarboxylic Acid
• Synonyms: (S)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-piperidine-3-carboxylic acid; (S)-SNAP 5114; [157604-55-2]
• Molecular Formula: C₃₀H₃₅NO₆
• Molecular Weight: 505.60
• CAS Registry Number: 157604-55-2
• SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)OCCN4CCC[C@@H](C4)C(=O)O
• InChI: 1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
• InChIKey: VDLDUZLDZBVOAS-QFIPXVFZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 643.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 343.2±31.5°C (Cal.)
• Refractive index: 1.571 (Cal.)
• solubility: Soluble to 50 mM in ethanol and to 100 mM in DMSO