Found 1 result

Search term: UMOBRIXOOIFSTP-NEPJUHHUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(2-pyrazinylsulfanyl)methyl]-3-pyrrolidinol | C16H19N7OS

(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(2-pyrazinylsulfanyl)methyl]-3-pyrrolidinol

  • Molecular FormulaC16H19N7OS
  • Average mass357.433 Da
  • Monoisotopic mass357.137177 Da
  • ChemSpider ID59051820

  • defined stereocentres - 2 of 2 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-[(2-pyrazinylsulfanyl)methyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(2-pyrazinylsulfanyl)methyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]-4-[(2-pyrazinylsulfanyl)méthyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
(3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-[(Pyrazin-2-Ylsulfanyl)methyl]pyrrolidin-3-Ol
3-Pyrrolidinol, 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(2-pyrazinylthio)methyl]-, (3R,4S)- [ACD/Index Name]
4EH

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.756
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.15
Polar Surface Area: 142 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 104.7±5.0 dyne/cm
Molar Volume: 236.5±5.0 cm3

Click to predict properties on the Chemicalize site


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