ChemSpider 2D Image | {[(3S)-2-({[(2-Amino-3-{[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propanoyl)amino]acetyl}amino)-3-methylpentanoyl]amino}acetic acid (non-preferred name) | C18H32N4O10

{[(3S)-2-({[(2-Amino-3-{[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propanoyl)amino]acetyl}amino)-3-methylpentanoyl]amino}acetic acid (non-preferred name)

  • Molecular FormulaC18H32N4O10
  • Average mass464.467 Da
  • Monoisotopic mass464.211853 Da
  • ChemSpider ID68026455

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

{[(3S)-2-({[(2-Amino-3-{[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propanoyl)amino]acetyl}amino)-3-methylpentanoyl]amino}acetic acid (non-preferred name) [ACD/IUPAC Name]
{[(3S)-2-({[(2-Amino-3-{[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propanoyl)amino]acetyl}amino)-3-methylpentanoyl]amino}essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide {[(3S)-2-({2-[(2-amino-3-{[(2R,3R,4S,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}propanoyl)amino]acétyl}amino)-3-méthylpentanoyl]amino}acétique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 911.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.4±6.0 kJ/mol
Flash Point: 504.9±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 325.7±5.0 cm3

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