ChemSpider 2D Image | (1S,2S,3R,4R)-4-Carbamimidamido-3-{(1S)-1-[(~2~H_3_)ethanoylamino]-2-ethylbutyl}-2-hydroxycyclopentanecarboxylic acid | C15H25D3N4O4

(1S,2S,3R,4R)-4-Carbamimidamido-3-{(1S)-1-[(2H3)ethanoylamino]-2-ethylbutyl}-2-hydroxycyclopentanecarboxylic acid

  • Molecular FormulaC15H25D3N4O4
  • Average mass331.426 Da
  • Monoisotopic mass331.229889 Da
  • ChemSpider ID58793385

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,2S,3R,4R)-4-Carbamimidamido-3-{(1S)-1-[(2H3)ethanoylamino]-2-ethylbutyl}-2-hydroxycyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S,3R,4R)-4-Carbamimidamido-3-{(1S)-1-[(2H3)ethanoylamino]-2-ethylbutyl}-2-hydroxycyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S,3R,4R)-4-carbamimidamido-3-{(1S)-1-[(2H3)éthanoylamino]-2-éthylbutyl}-2-hydroxycyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 4-[(aminoiminomethyl)amino]-3-[(1S)-2-ethyl-1-[(1-oxoethyl-2,2,2-d3)amino]butyl]-2-hydroxy-, (1S,2S,3R,4R)- [ACD/Index Name]
229614-55-5 [RN]
229614-56-6 [RN]
MFCD09837902 [MDL number]

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: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 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


Advertisement