(Z)-7-[(1R,4S,5S,6S)-5-(Phenylsulfonylamino)-6-Bicyclo[2.2.1]Heptanyl]Hept-5-Enoic Acid
[CAS# 112966-96-8]

Identification

• Name: (Z)-7-[(1R,4S,5S,6S)-5-(Phenylsulfonylamino)-6-Bicyclo[2.2.1]Heptanyl]Hept-5-Enoic Acid
• Synonyms: (Z)-7-[(1R,2S,3S,4S)-3-(Phenylsulfonylamino)Norbornan-2-Yl]Hept-5-Enoic Acid; (Z)-7-[(1R,2S,3S,4S)-3-(Phenylsulfonylamino)-2-Norbornanyl]Hept-5-Enoic Acid; Calcium 5,7-(3-Phenylsulfonylaminobicyclo(2.2.1)Hept-2-Yl)-5-Heptenoate Hydrate
• Molecular Formula: C₂₀H₂₇NO₄S
• Molecular Weight: 377.50
• CAS Registry Number: 112966-96-8
• SMILES: [C@@H]23[C@H](N[S](=O)(=O)C1=CC=CC=C1)[C@H]([C@@H](C2)CC3)C\C=C/CCCC(=O)O
• InChI: 1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
• InChIKey: PWTCIBWRMQFJBC-ZEMKZVSASA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 563.4±42.0°C at 760 mmHg (Cal.)
• Flash point: 294.5±27.9°C (Cal.)