Fosfestrol
[CAS# 522-40-7]

Identification

• Name: Fosfestrol
• Synonyms: [4-[(E)-4-(4-Phosphonooxyphenyl)Hex-3-En-3-Yl]Phenyl] Dihydrogen Phosphate; [4-[1-Ethyl-2-(4-Phosphonooxyphenyl)But-1-Enyl]Phenyl] Dihydrogen Phosphate; [4-[(E)-1-Ethyl-2-(4-Phosphonooxyphenyl)But-1-Enyl]Phenyl] Dihydrogen Phosphate
• Molecular Formula: C₁₈H₂₂O₈P₂
• Molecular Weight: 428.31
• CAS Registry Number: 522-40-7
• EINECS: 208-328-8
• SMILES: C2=C(C(=C(C1=CC=C(O[P](O)(O)=O)C=C1)\CC)/CC)C=CC(=C2)O[P](O)(O)=O
• InChI: 1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+
• InChIKey: NLORYLAYLIXTID-ISLYRVAYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 648.7±65.0°C at 760 mmHg (Cal.)
• Flash point: 346.1±34.3°C (Cal.)