ChemSpider 2D Image | N-[(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-L-isoleucine | C12H16BrN3O5

N-[(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-L-isoleucine

  • Molecular FormulaC12H16BrN3O5
  • Average mass362.177 Da
  • Monoisotopic mass361.027313 Da
  • ChemSpider ID54243540

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Isoleucine, N-[2-(5-bromo-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]- [ACD/Index Name]
N-[(5-Brom-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-L-isoleucin [German] [ACD/IUPAC Name]
N-[(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-L-isoleucine [ACD/IUPAC Name]
N-[2-(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acétyl]-L-isoleucine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 230.1±3.0 cm3

Click to predict properties on the Chemicalize site


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