Dibenzyl N-[3-(3,4-dihydroxyphenyl)propanoyl]-L-aspartate
[CAS# 615264-62-5]

Identification

• Name: Dibenzyl N-[3-(3,4-dihydroxyphenyl)propanoyl]-L-aspartate
• Synonyms: "N-[3-(3,4-dihydroxyphenyl)-1-oxopropyl]-L-aspartic acid, bis(phenylmethyl) ester"; (S)-2-[3-(3,4-Dihydroxy-phenyl)-propionylamino]-succinic acid dibenzyl ester; 3,4-dihydroxy Hydrocinnamic acid (L-Aspartic acid dibenzyl ester) amide
• Molecular Formula: C₂₇H₂₇NO₇
• Molecular Weight: 477.51
• CAS Registry Number: 615264-62-5
• SMILES: C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)O)O
• InChI: 1S/C27H27NO7/c29-23-13-11-19(15-24(23)30)12-14-25(31)28-22(27(33)35-18-21-9-5-2-6-10-21)16-26(32)34-17-20-7-3-1-4-8-20/h1-11,13,15,22,29-30H,12,14,16-18H2,(H,28,31)/t22-/m0/s1
• InChIKey: SNEUAEKNRYBOTP-QFIPXVFZSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 727.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 393.9±32.9°C (Cal.)
• Refractive index: 1.61 (Cal.)