ChemSpider 2D Image | (2E)-3-(2,4-Dihydroxy-6-methyl-5-pyrimidinyl)-N-{1-[(R)-(4-hydroxyphenyl)sulfinyl]-2-propanyl}acrylamide | C17H19N3O5S

(2E)-3-(2,4-Dihydroxy-6-methyl-5-pyrimidinyl)-N-{1-[(R)-(4-hydroxyphenyl)sulfinyl]-2-propanyl}acrylamide

  • Molecular FormulaC17H19N3O5S
  • Average mass377.415 Da
  • Monoisotopic mass377.104553 Da
  • ChemSpider ID68024602

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2E)-3-(2,4-Dihydroxy-6-methyl-5-pyrimidinyl)-N-{1-[(R)-(4-hydroxyphenyl)sulfinyl]-2-propanyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-3-(2,4-Dihydroxy-6-methyl-5-pyrimidinyl)-N-{1-[(R)-(4-hydroxyphenyl)sulfinyl]-2-propanyl}acrylamide [ACD/IUPAC Name]
(2E)-3-(2,4-Dihydroxy-6-méthyl-5-pyrimidinyl)-N-{1-[(R)-(4-hydroxyphényl)sulfinyl]-2-propanyl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-(2,4-dihydroxy-6-methyl-5-pyrimidinyl)-N-[2-[(R)-(4-hydroxyphenyl)sulfinyl]-1-methylethyl]-, (2E)- [ACD/Index Name]
Phenol-alanine sparsomycin

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 249.6±5.0 cm3

Click to predict properties on the Chemicalize site


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