Found 30 results

Search term: MF = 'C_{29}H_{47}N_{5}O_{8}'
ChemSpider 2D Image | 1-[(2S)-6-Amino-1-hydroxy-2-hexanyl]-3-[2-(4-{[3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}-3-methylphenyl)ethyl]urea | C29H47N5O8

1-[(2S)-6-Amino-1-hydroxy-2-hexanyl]-3-[2-(4-{[3-(β-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}-3-methylphenyl)ethyl]urea

  • Molecular FormulaC29H47N5O8
  • Average mass593.712 Da
  • Monoisotopic mass593.342468 Da
  • ChemSpider ID8252733

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-[(2S)-6-Amino-1-hydroxy-2-hexanyl]-3-[2-(4-{[3-(β-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}-3-methylphenyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-[(2S)-6-Amino-1-hydroxy-2-hexanyl]-3-[2-(4-{[3-(β-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}-3-methylphenyl)ethyl]urea [ACD/IUPAC Name]
1-[(2S)-6-Amino-1-hydroxy-2-hexanyl]-3-[2-(4-{[3-(β-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]méthyl}-3-méthylphényl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[(1S)-5-amino-1-(hydroxymethyl)pentyl]-N'-[2-[4-[[3-(β-D-glucopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-3-methylphenyl]ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 889.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 491.5±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 458.5±3.0 cm3

Click to predict properties on the Chemicalize site


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