ChemSpider 2D Image | Methyl N-[({(1R,2Z)-2-[(2,6-diamino-9H-purin-9-yl)methylene]cyclopropyl}methoxy)(phenoxy)phosphoryl]-L-alaninate | C20H24N7O5P

Methyl N-[({(1R,2Z)-2-[(2,6-diamino-9H-purin-9-yl)methylene]cyclopropyl}methoxy)(phenoxy)phosphoryl]-L-alaninate

  • Molecular FormulaC20H24N7O5P
  • Average mass473.422 Da
  • Monoisotopic mass473.157654 Da
  • ChemSpider ID34988191

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Alanine, N-[[[(1R,2Z)-2-[(2,6-diamino-9H-purin-9-yl)methylene]cyclopropyl]methoxy]phenoxyphosphinyl]-, methyl ester [ACD/Index Name]
Methyl N-[({(1R,2Z)-2-[(2,6-diamino-9H-purin-9-yl)methylene]cyclopropyl}methoxy)(phenoxy)phosphoryl]-L-alaninate [ACD/IUPAC Name]
Methyl-N-[({(1R,2Z)-2-[(2,6-diamino-9H-purin-9-yl)methylen]cyclopropyl}methoxy)(phenoxy)phosphoryl]-L-alaninat [German] [ACD/IUPAC Name]
N-[({(1R,2Z)-2-[(2,6-Diamino-9H-purin-9-yl)méthylène]cyclopropyl}méthoxy)(phénoxy)phosphoryl]-L-alaninate de méthyle [French] [ACD/IUPAC Name]
210355-14-9 [RN]
QYL-685
UNII-90R59O174E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 728.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.3±35.7 °C
Index of Refraction: 1.720
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 5.98
ACD/KOC (pH 5.5): 107.85
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.00
ACD/KOC (pH 7.4): 180.49
Polar Surface Area: 179 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 296.1±7.0 cm3

Click to predict properties on the Chemicalize site


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