ChemSpider 2D Image | N-[(1Z,2S)-1-Hydroxy-1-({2-[hydroxy(imino)methyl]phenyl}imino)-2-propanyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinecarboximidic acid | C19H19N7O5

N-[(1Z,2S)-1-Hydroxy-1-({2-[hydroxy(imino)methyl]phenyl}imino)-2-propanyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinecarboximidic acid

  • Molecular FormulaC19H19N7O5
  • Average mass425.398 Da
  • Monoisotopic mass425.144775 Da
  • ChemSpider ID34981999

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-Pteridinecarboximidic acid, 1,2,3,4-tetrahydro-N-[(1S,2Z)-2-hydroxy-2-[[2-(hydroxyiminomethyl)phenyl]imino]-1-methylethyl]-1,3-dimethyl-2,4-dioxo- [ACD/Index Name]
Acide N-[(1Z,2S)-1-hydroxy-1-({2-[hydroxy(imino)méthyl]phényl}imino)-2-propanyl]-1,3-diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-6-ptéridinecarboximidique [French] [ACD/IUPAC Name]
N-[(1Z,2S)-1-Hydroxy-1-({2-[hydroxy(imino)methyl]phenyl}imino)-2-propanyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridincarboximidsäure [German] [ACD/IUPAC Name]
N-[(1Z,2S)-1-Hydroxy-1-({2-[hydroxy(imino)methyl]phenyl}imino)-2-propanyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinecarboximidic acid [ACD/IUPAC Name]
penilumamide D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 738.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.2±35.7 °C
Index of Refraction: 1.721
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 67.3±7.0 dyne/cm
Molar Volume: 273.7±7.0 cm3

Click to predict properties on the Chemicalize site


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