ChemSpider 2D Image | (3aR,4R,9bS)-4-(Hydroxymethyl)-2,2-dimethyl-3a,9b-dihydro[1,3]dioxolo[3,4]pyrrolo[1,2-c]pyrimidine-6,8(4H,7H)-dione | C11H14N2O5

(3aR,4R,9bS)-4-(Hydroxymethyl)-2,2-dimethyl-3a,9b-dihydro[1,3]dioxolo[3,4]pyrrolo[1,2-c]pyrimidine-6,8(4H,7H)-dione

  • Molecular FormulaC11H14N2O5
  • Average mass254.239 Da
  • Monoisotopic mass254.090271 Da
  • ChemSpider ID30659062

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,9bS)-4-(Hydroxymethyl)-2,2-dimethyl-3a,9b-dihydro[1,3]dioxolo[3,4]pyrrolo[1,2-c]pyrimidin-6,8(4H,7H)-dion [German] [ACD/IUPAC Name]
(3aR,4R,9bS)-4-(Hydroxymethyl)-2,2-dimethyl-3a,9b-dihydro[1,3]dioxolo[3,4]pyrrolo[1,2-c]pyrimidine-6,8(4H,7H)-dione [ACD/IUPAC Name]
(3aR,4R,9bS)-4-(Hydroxyméthyl)-2,2-diméthyl-3a,9b-dihydro[1,3]dioxolo[3,4]pyrrolo[1,2-c]pyrimidine-6,8(4H,7H)-dione [French] [ACD/IUPAC Name]
1,3-Dioxolo[3,4]pyrrolo[1,2-c]pyrimidine-6,8(4H,7H)-dione, 3a,9b-dihydro-4-(hydroxymethyl)-2,2-dimethyl-, (3aR,4R,9bS)- [ACD/Index Name]

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: 1.624
Molar Refractivity: 59.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.63
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.06
Polar Surface Area: 88 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 167.9±5.0 cm3

Click to predict properties on the Chemicalize site


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