ChemSpider 2D Image | (2S,2'S,2''S)-3,3',3''-(2',6,6''-Trihydroxy-1,1':3',1''-terphenyl-3,3'',5'-triyl)tris(2-aminopropanoic acid) | C27H29N3O9

(2S,2'S,2''S)-3,3',3''-(2',6,6''-Trihydroxy-1,1':3',1''-terphenyl-3,3'',5'-triyl)tris(2-aminopropanoic acid)

  • Molecular FormulaC27H29N3O9
  • Average mass539.534 Da
  • Monoisotopic mass539.190369 Da
  • ChemSpider ID9867085

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,2'S,2''S)-3,3',3''-(2',6,6''-Trihydroxy-1,1':3',1''-terphenyl-3,3'',5'-triyl)tris(2-aminopropanoic acid) [ACD/IUPAC Name]
(2S,2'S,2''S)-3,3',3''-(2',6,6''-Trihydroxy-1,1':3',1''-terphenyl-3,3'',5'-triyl)tris(2-aminopropansäure) [German] [ACD/IUPAC Name]
1064-50-2 [RN]
Acide (2S,2'S,2''S)-3,3',3''-(2',6,6''-trihydroxy-1,1':3',1''-terphényl-3,3'',5'-triyl)tris(2-aminopropanoïque) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.6±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 85.6±3.0 dyne/cm
Molar Volume: 359.3±3.0 cm3

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