ChemSpider 2D Image | (R)-plevitrexed | C26H25FN8O4

(R)-plevitrexed

  • Molecular FormulaC26H25FN8O4
  • Average mass532.526 Da
  • Monoisotopic mass532.198303 Da
  • ChemSpider ID425214

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(2-fluoro-4-{[(4-hydroxy-2,7-dimethylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid
(2R)-2-[(4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}-2-fluorbenzoyl)amino]-4-(2H-tetrazol-5-yl)butansäure [German] [ACD/IUPAC Name]
(2R)-2-[(4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}-2-fluorobenzoyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid [ACD/IUPAC Name]
(R)-plevitrexed
153537-74-7 [RN]
2H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-fluorobenzoyl]amino]-, (αR)- [ACD/Index Name]
Acide (2R)-2-[(4-{[(2,7-diméthyl-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}-2-fluorobenzoyl)amino]-4-(2H-tétrazol-5-yl)butanoïque [French] [ACD/IUPAC Name]
(2R)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
(R)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-4-(1H-tetrazol-5-yl)-butyric acid
153538-08-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS106632 [DBID]
AIDS-106632 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 369.5±7.0 cm3

Click to predict properties on the Chemicalize site


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