ChemSpider 2D Image | (3S,4R,5R)-4-Acetamido-3-carbamimidamido-5-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid | C15H26N4O4

(3S,4R,5R)-4-Acetamido-3-carbamimidamido-5-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC15H26N4O4
  • Average mass326.391 Da
  • Monoisotopic mass326.195404 Da
  • ChemSpider ID26374387

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3s,4r,5r)-4-(Acetylamino)-3-Carbamimidamido-5-(Pentan-3-Yloxy)cyclohex-1-Ene-1-Carboxylic Acid
(3S,4R,5R)-4-Acetamido-3-carbamimidamido-5-(3-pentanyloxy)-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3S,4R,5R)-4-Acetamido-3-carbamimidamido-5-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-3-[(aminoiminomethyl)amino]-5-(1-ethylpropoxy)-, (3S,4R,5R)- [ACD/Index Name]
Acide (3S,4R,5R)-4-acétamido-3-carbamimidamido-5-(3-pentanyloxy)-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
1SJ

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 244.3±7.0 cm3

Click to predict properties on the Chemicalize site


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