ChemSpider 2D Image | 3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-talo-octonic acid | C17H24N2O8

3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-talo-octonic acid

  • Molecular FormulaC17H24N2O8
  • Average mass384.381 Da
  • Monoisotopic mass384.153259 Da
  • ChemSpider ID23232395

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(R)-carboxy(L-tyrosylamino)methyl]-6-deoxy-D-galactitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(R)-carboxy(L-tyrosylamino)methyl]-6-desoxy-D-galactitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(R)-carboxy(L-tyrosylamino)méthyl]-6-désoxy-D-galactitol [French] [ACD/IUPAC Name]
3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-talo-octonic acid
D-threo-L-talo-Octonic acid, 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3,7-anhydro-2,8-dideoxy- [ACD/Index Name]
[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylamino]-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL421832/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 760.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 413.9±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 81.3±3.0 dyne/cm
Molar Volume: 257.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement