ChemSpider 2D Image | (3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-sulfanyl-3-penten-1-yl trihydrogen diphosphate | C11H20N4O7P2S

(3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-sulfanyl-3-penten-1-yl trihydrogen diphosphate

  • Molecular FormulaC11H20N4O7P2S
  • Average mass414.312 Da
  • Monoisotopic mass414.052795 Da
  • ChemSpider ID61710434

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-sulfanyl-3-penten-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-sulfanyl-3-penten-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(3Z)-4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]amino]-3-mercapto-3-penten-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (3Z)-4-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]amino}-3-sulfanyl-3-pentén-1-yle [French] [ACD/IUPAC Name]
(3z)-4-{[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]amino}-3-Mercaptopent-3-En-1-Yl Trihydrogen Diphosphate
TP9

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

Density: 1.6±0.1 g/cm3
Boiling Point: 725.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.7±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -5.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 80.7±3.0 dyne/cm
Molar Volume: 262.9±3.0 cm3

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