ChemSpider 2D Image | 3-({3-[(2S)-2-Amino-2-carboxyethyl]-5-methyl-2,6-dioxo(~2~H)-3,6-dihydro-1(2H)-pyrimidinyl}methyl)-2-thiophenecarboxylic acid | C14H14DN3O6S

3-({3-[(2S)-2-Amino-2-carboxyethyl]-5-methyl-2,6-dioxo(2H)-3,6-dihydro-1(2H)-pyrimidinyl}methyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC14H14DN3O6S
  • Average mass354.357 Da
  • Monoisotopic mass354.074432 Da
  • ChemSpider ID58172327

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-({3-[(2S)-2-Amino-2-carboxyethyl]-5-methyl-2,6-dioxo(2H)-3,6-dihydro-1(2H)-pyrimidinyl}methyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-({3-[(2S)-2-Amino-2-carboxyethyl]-5-methyl-2,6-dioxo(2H)-3,6-dihydro-1(2H)-pyrimidinyl}methyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-({3-[(2S)-2-amino-2-carboxyéthyl]-5-méthyl-2,6-dioxo(2H)-3,6-dihydro-1(2H)-pyrimidinyl}méthyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
Pyrimidine-6-d-1(2H)-propanoic acid, α-amino-3-[(2-carboxy-3-thienyl)methyl]-3,4-dihydro-5-methyl-2,4-dioxo-, (αS)- [ACD/Index Name]
[2H]UBP310

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

Density: 1.6±0.1 g/cm3
Boiling Point: 615.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 325.8±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 80.6±3.0 dyne/cm
Molar Volume: 225.9±3.0 cm3

Click to predict properties on the Chemicalize site


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