Estrone-3-Methylthiophosphonate
[CAS# 71142-69-3]

Identification

• Name: Estrone-3-Methylthiophosphonate
• Synonyms: (8R,9S,13S,14S)-3-(Hydroxy-Methyl-Phosphinothioyl)Oxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One; (8R,9S,13S,14S)-3-(Hydroxy-Methyl-Thiophosphoryl)Oxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One; E1-3-Mtp
• Molecular Formula: C₁₉H₂₅O₃PS
• Molecular Weight: 364.44
• CAS Registry Number: 71142-69-3
• SMILES: [C@H]23[C@@H](C1=C(C=C(O[P](C)(O)=S)C=C1)CC2)CC[C@]4([C@H]3CCC4=O)C
• InChI: 1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23?/m1/s1
• InChIKey: OPFKWSWJXPDBJS-KCESOSKLSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 517.706°C at 760 mmHg (Cal.)
• Flash point: 266.899°C (Cal.)