1,3-Dihydroxy-2-(hydroxymethyl)-2-propanaminium 7-{3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)-1-buten-1-yl]cyclopentyl}-5-heptenoate
[CAS# 71116-83-1]

Identification

• Name: 1,3-Dihydroxy-2-(hydroxymethyl)-2-propanaminium 7-{3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)-1-buten-1-yl]cyclopentyl}-5-heptenoate
• Synonyms: [2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium 7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)but-1-enyl]cyclopentyl]hept-5-enoate
• Molecular Formula: C₂₄H₃₉NO₉S
• Molecular Weight: 517.63
• CAS Registry Number: 71116-83-1
• EINECS: 275-202-7
• SMILES: OC(COc1ccsc1)C=CC2C(CC=CCCCC([O-])=O)C(O)CC2O.[NH3+]C(CO)(CO)CO
• InChI: 1S/C20H28O6S.C4H11NO3/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25;5-4(1-6,2-7)3-8/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25);6-8H,1-3,5H2
• InChIKey: ANXQNUUWCDBQFB-UHFFFAOYSA-N

Properties

• Boiling point: 799°C at 760 mmHg (Cal.)
• Flash point: 437°C (Cal.)