(2S)-2-Amino-2-(Hydroxymethyl)-4-(4-Octylphenyl)Butyl Dihydrogen Phosphate
[CAS# 402616-26-6]

Identification

• Name: (2S)-2-Amino-2-(Hydroxymethyl)-4-(4-Octylphenyl)Butyl Dihydrogen Phosphate
• Synonyms: "(2S)-amino-2-[2-(4-octylphenyl)ethyl]-1-(dihydrogen phosphate)-1,3-propanediol"; (2S)-amino-2-[2-(4-octylphenyl)ethyl]-1-(dihydrogen phosphate)-1,3-propanediol; FTY720 (S)-Phosphate
• Molecular Formula: C₁₉H₃₄NO₅P
• Molecular Weight: 387.45
• CAS Registry Number: 402616-26-6
• SMILES: CCCCCCCCC1=CC=C(C=C1)CC[C@](CO)(COP(=O)(O)O)N
• InChI: 1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
• InChIKey: LRFKWQGGENFBFO-IBGZPJMESA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 584.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 307.1±32.9°C (Cal.)
• Refractive index: 1.541 (Cal.)