ChemSpider 2D Image | {(3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-Hydroxypyrrolidin-3-Yl}-L-Methionine | C16H24N6O3S

{(3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-Hydroxypyrrolidin-3-Yl}-L-Methionine

  • Molecular FormulaC16H24N6O3S
  • Average mass380.465 Da
  • Monoisotopic mass380.163055 Da
  • ChemSpider ID35036023

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-Hydroxypyrrolidin-3-Yl}-L-Methionine
{(3S,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxy-3-pyrrolidinyl}-L-methionin [German] [ACD/IUPAC Name]
{(3S,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxy-3-pyrrolidinyl}-L-methionine [ACD/IUPAC Name]
{(3S,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]-4-hydroxy-3-pyrrolidinyl}-L-méthionine [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[[[(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxy-3-pyrrolidinyl]methyl]thio]-, (2S)- [ACD/Index Name]
HCE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -4.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 96.2±3.0 dyne/cm
Molar Volume: 256.0±3.0 cm3

Click to predict properties on the Chemicalize site


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