ChemSpider 2D Image | (2R,3R)-3-{[(2R)-1-({4-[(Diaminomethylene)amino]butyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylic acid | C15H27N5O5

(2R,3R)-3-{[(2R)-1-({4-[(Diaminomethylene)amino]butyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylic acid

  • Molecular FormulaC15H27N5O5
  • Average mass357.405 Da
  • Monoisotopic mass357.201233 Da
  • ChemSpider ID110095329

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-3-{[(2R)-1-({4-[(Diaminomethylen)amino]butyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxirancarbonsäure [German] [ACD/IUPAC Name]
(2R,3R)-3-{[(2R)-1-({4-[(Diaminomethylene)amino]butyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylic acid [ACD/IUPAC Name]
2-Oxiranecarboxylic acid, 3-[[[(1R)-1-[[[4-[(diaminomethylene)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2R,3R)- [ACD/Index Name]
Acide (2R,3R)-3-{[(2R)-1-({4-[(diaminométhylène)amino]butyl}amino)-4-méthyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylique [French] [ACD/IUPAC Name]

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: 1.618
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 247.1±7.0 cm3

Click to predict properties on the Chemicalize site


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