ChemSpider 2D Image | PSB-6426 | C22H29N4O10P

PSB-6426

  • Molecular FormulaC22H29N4O10P
  • Average mass540.460 Da
  • Monoisotopic mass540.162109 Da
  • ChemSpider ID24694602

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4-{[2-({[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]carbonyl}amino)acétyl]amino}benzyl)phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl (4-{[({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}amino)acetyl]amino}benzyl)phosphonate [ACD/IUPAC Name]
Diethyl-(4-{[({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}amino)acetyl]amino}benzyl)phosphonat [German] [ACD/IUPAC Name]
PSB-6426
(2S,3S,4R,5R)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
958459-33-1 [RN]
compound 19a [PMID: 18630897]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469212/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.73
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.70
Polar Surface Area: 203 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 364.0±3.0 cm3

Click to predict properties on the Chemicalize site


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