(2R,3R,4S,5R,6R)-2-[(Benzoyloxy)Methyl]-6-Carbamothioyltetrahydro-2H-Pyran-3,4,5-Triyl Tribenzoate
[CAS# 358738-50-8]

Identification

• Name: (2R,3R,4S,5R,6R)-2-[(Benzoyloxy)Methyl]-6-Carbamothioyltetrahydro-2H-Pyran-3,4,5-Triyl Tribenzoate
• Synonyms: (2R,3R,4S,5R,6R)-2-[(Benzoyloxy)methyl]-6-carbamothioyltetrahydro-2H-pyran-3,4,5-triyl tribenzoate (non-preferred name); (2R,3R,4S,5R,6R)-2-[(Benzoyloxy)methyl]-6-carbamothioyltetrahydro-2H-pyran-3,4,5-triyl-tribenzoat (non-preferred name)
• Molecular Formula: C₃₅H₂₉NO₉S
• Molecular Weight: 639.67
• CAS Registry Number: 358738-50-8
• SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=S)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
• InChI: 1S/C35H29NO9S/c36-31(46)30-29(45-35(40)25-19-11-4-12-20-25)28(44-34(39)24-17-9-3-10-18-24)27(43-33(38)23-15-7-2-8-16-23)26(42-30)21-41-32(37)22-13-5-1-6-14-22/h1-20,26-30H,21H2,(H2,36,46)/t26-,27-,28+,29-,30-/m1/s1
• InChIKey: GIQMMENYWUCMEQ-CMPUJJQDSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 780.9±70.0°C at 760 mmHg (Cal.)
• Flash point: 426.1±35.7°C (Cal.)
• Refractive index: 1.665 (Cal.)