ChemSpider 2D Image | (2S)-2-Amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal | C7H9N7O

(2S)-2-Amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal

  • Molecular FormulaC7H9N7O
  • Average mass207.193 Da
  • Monoisotopic mass207.086853 Da
  • ChemSpider ID16744139

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-amino-3-[1-(1H-tetraazol-5-yl)-1H-imidazol-4-yl]propanal
(2S)-2-Amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal [ACD/IUPAC Name]
(2S)-2-Amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal [German] [ACD/IUPAC Name]
(2S)-2-Amino-3-[1-(1H-tétrazol-5-yl)-1H-imidazol-4-yl]propanal [French] [ACD/IUPAC Name]
1H-Imidazole-4-propanal, α-amino-1-(1H-tetrazol-5-yl)-, (αS)- [ACD/Index Name]
Tetrazolyl Histidine

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

LI7 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 485.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 247.1±31.5 °C
Index of Refraction: 1.840
Molar Refractivity: 51.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 91.3±7.0 dyne/cm
Molar Volume: 116.7±7.0 cm3

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