ChemSpider 2D Image | (2S,2'S)-2,2'-[(1,8-Dioxo-1,8-octanediyl)diimino]bis[3-(4-hydroxyphenyl)propanoic acid] | C26H32N2O8

(2S,2'S)-2,2'-[(1,8-Dioxo-1,8-octanediyl)diimino]bis[3-(4-hydroxyphenyl)propanoic acid]

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID2331997

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,2'S)-2,2'-[(1,8-Dioxo-1,8-octandiyl)diimino]bis[3-(4-hydroxyphenyl)propansäure] [German] [ACD/IUPAC Name]
(2S,2'S)-2,2'-[(1,8-Dioxo-1,8-octanediyl)diimino]bis[3-(4-hydroxyphenyl)propanoic acid] [ACD/IUPAC Name]
Acide (2S,2'S)-2,2'-[(1,8-dioxo-1,8-octanediyl)diimino]bis[3-(4-hydroxyphényl)propanoïque] [French] [ACD/IUPAC Name]
(2S)-2-(7-{[(1S)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}HEPTANAMIDO)-3-(4-HYDROXYPHENYL)PROPANOIC ACID
143673-91-0 [RN]
L-Tyrosine, N,N'-(1,8-dioxo-1,8-octanediyl)bis-
N,N'-(1,8-Dioxo-1,8-octanediyl)bis-L-tyrosine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 5840848 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 888.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.8±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 379.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement