ChemSpider 2D Image | N-{[(2S,5S,6R,7S,8R,10S)-8,10-Diamino-6,7-dihydroxy-1-oxaspiro[4.5]dec-2-yl]methyl}-L-histidinamide | C16H28N6O4

N-{[(2S,5S,6R,7S,8R,10S)-8,10-Diamino-6,7-dihydroxy-1-oxaspiro[4.5]dec-2-yl]methyl}-L-histidinamide

  • Molecular FormulaC16H28N6O4
  • Average mass368.431 Da
  • Monoisotopic mass368.217194 Da
  • ChemSpider ID31139636

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1H-Imidazole-5-propanamide, α-amino-N-[[(2S,5S,6R,7S,8R,10S)-8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]dec-2-yl]methyl]-, (αS)- [ACD/Index Name]
N-{[(2S,5S,6R,7S,8R,10S)-8,10-Diamino-6,7-dihydroxy-1-oxaspiro[4.5]dec-2-yl]methyl}-L-histidinamid [German] [ACD/IUPAC Name]
N-{[(2S,5S,6R,7S,8R,10S)-8,10-Diamino-6,7-dihydroxy-1-oxaspiro[4.5]dec-2-yl]methyl}-L-histidinamide [ACD/IUPAC Name]
N-{[(2S,5S,6R,7S,8R,10S)-8,10-Diamino-6,7-dihydroxy-1-oxaspiro[4.5]déc-2-yl]méthyl}-L-histidinamide [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: 766.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.73
ACD/LogD (pH 5.5): -8.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 258.4±5.0 cm3

Click to predict properties on the Chemicalize site


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