ChemSpider 2D Image | (2R)-{[(1S,3R)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]oxy}(phosphono)acetic acid | C12H17N2O8P

(2R)-{[(1S,3R)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]oxy}(phosphono)acetic acid

  • Molecular FormulaC12H17N2O8P
  • Average mass348.246 Da
  • Monoisotopic mass348.072266 Da
  • ChemSpider ID35035192

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-{[(1S,3R)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]oxy}(phosphono)acetic acid [ACD/IUPAC Name]
(2R)-{[(1S,3R)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]oxy}(phosphono)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(1S,3R)-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)cyclopentyl]oxy]-2-phosphono-, (2R)- [ACD/Index Name]
Acide (2R)-{[(1S,3R)-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)cyclopentyl]oxy}(phosphono)acétique [French] [ACD/IUPAC Name]
[(1r)-2-Methoxy-1-{[(1s,3r)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)cyclopentyl]oxy}-2-Oxoethyl]phosphonic Acid
3JY

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -6.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 81.5±5.0 dyne/cm
Molar Volume: 213.8±5.0 cm3

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