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Search term: MQJBNGGMAUMWEV-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-propyn-1-ylsulfanyl)methyl]-3-pyrrolidinol | C15H19N5OS

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

  • Molecular FormulaC15H19N5OS
  • Average mass317.409 Da
  • Monoisotopic mass317.131042 Da
  • ChemSpider ID129184742

  • 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-propin-1-ylsulfanyl)methyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(2-propyn-1-ylsulfanyl)methyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]-4-[(2-propyn-1-ylsulfanyl)méthyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(2-propyn-1-ylthio)methyl]-, (3R,4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.5±30.1 °C
Index of Refraction: 1.733
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.56
Polar Surface Area: 116 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site


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