ChemSpider 2D Image | (1S,2R,3R,4R)-3-[(1S)-1-Acetamido-2-ethylbutyl]-4-[(diaminomethylene)amino]-2-hydroxycyclopentanecarboxylic acid | C15H28N4O4

(1S,2R,3R,4R)-3-[(1S)-1-Acetamido-2-ethylbutyl]-4-[(diaminomethylene)amino]-2-hydroxycyclopentanecarboxylic acid

  • Molecular FormulaC15H28N4O4
  • Average mass328.407 Da
  • Monoisotopic mass328.211060 Da
  • ChemSpider ID57505184

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,3R,4R)-3-[(1S)-1-Acetamido-2-ethylbutyl]-4-[(diaminomethylen)amino]-2-hydroxycyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R,3R,4R)-3-[(1S)-1-Acetamido-2-ethylbutyl]-4-[(diaminomethylene)amino]-2-hydroxycyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R,3R,4R)-3-[(1S)-1-acétamido-2-éthylbutyl]-4-[(diaminométhylène)amino]-2-hydroxycyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(diaminomethylene)amino]-2-hydroxy-, (1S,2R,3R,4R)- [ACD/Index Name]
(1S,2R,3R,4R)-3-[(1S)-1-ACETAMIDO-2-ETHYL-BUTYL]-4-(DIAMINOMETHYLIDENEAMINO)-2-HYDROXY-CYCLOPENTANE-1-CARBOXYLIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 235.1±7.0 cm3

Click to predict properties on the Chemicalize site


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