3,4-Hexanediyldi-4,1-Phenylene Bis[Dihydrogen (Phosphate)]
[CAS# 14188-82-0]

Identification

• Name: 3,4-Hexanediyldi-4,1-Phenylene Bis[Dihydrogen (Phosphate)]
• Synonyms: 4-{(3R,4S)-4-[4-(PHOSPHONOOXY)PHENYL]HEXAN-3-YL}PHENYL DIHYDROGEN PHOSPHATE; cytostatin; Hexestrol 4,4'-Diphosphoric Ester
• Molecular Formula: C₁₈H₂₄O₈P₂
• Molecular Weight: 430.33
• CAS Registry Number: 14188-82-0
• SMILES: CCC(C1=CC=C(C=C1)OP(=O)(O)O)C(CC)C2=CC=C(C=C2)OP(=O)(O)O
• InChI: 1S/C18H24O8P2/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/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)
• InChIKey: JBDIWCWZUDNWTL-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 618.1±65.0°C at 760 mmHg (Cal.)
• Flash point: 327.6±34.3°C (Cal.)
• Refractive index: 1.592 (Cal.)