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Search term: C\C(CN)=C/CO[P@@](O)(=O)OP(O)(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2E)-4-Amino-3-methyl-2-buten-1-yl trihydrogen diphosphate | C5H13NO7P2

(2E)-4-Amino-3-methyl-2-buten-1-yl trihydrogen diphosphate

  • Molecular FormulaC5H13NO7P2
  • Average mass261.107 Da
  • Monoisotopic mass261.016724 Da
  • ChemSpider ID35033521

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-Amino-3-methyl-2-buten-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E)-4-Amino-3-methyl-2-buten-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(2e)-4-Amino-3-Methylbut-2-En-1-Yl Trihydrogen Diphosphate
Diphosphoric acid, mono[(2E)-4-amino-3-methyl-2-buten-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E)-4-amino-3-méthyl-2-butén-1-yle [French] [ACD/IUPAC Name]
10E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 497.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 254.7±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 50.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.44
ACD/LogD (pH 5.5): -6.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 161.7±3.0 cm3

Click to predict properties on the Chemicalize site


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