Found 1 result

Search term: 78436368 (Found by CSID)
ChemSpider 2D Image | (3R)-3-{[(2R,3S,4S,5R)-5-Amino-2,3,4,6-tetrahydroxyhexanoyl]amino}-3-phenylpropanoic acid (non-preferred name) | C15H22N2O7

(3R)-3-{[(2R,3S,4S,5R)-5-Amino-2,3,4,6-tetrahydroxyhexanoyl]amino}-3-phenylpropanoic acid (non-preferred name)

  • Molecular FormulaC15H22N2O7
  • Average mass342.344 Da
  • Monoisotopic mass342.142700 Da
  • ChemSpider ID78436368

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R)-3-{[(2R,3S,4S,5R)-5-Amino-2,3,4,6-tetrahydroxyhexanoyl]amino}-3-phenylpropanoic acid (non-preferred name) [ACD/IUPAC Name]
(3R)-3-{[(2R,3S,4S,5R)-5-Amino-2,3,4,6-tetrahydroxyhexanoyl]amino}-3-phenylpropansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (3R)-3-{[(2R,3S,4S,5R)-5-amino-2,3,4,6-tétrahydroxyhexanoyl]amino}-3-phénylpropanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Pyloricidin D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 788.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 430.9±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 234.3±3.0 cm3

Click to predict properties on the Chemicalize site


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