ChemSpider 2D Image | (1R,7R,9R,10R,14S)-12,12-Dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.0~2,7~.0~10,14~]pentadecane-3,5-dione | C12H16N2O5

(1R,7R,9R,10R,14S)-12,12-Dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione

  • Molecular FormulaC12H16N2O5
  • Average mass268.266 Da
  • Monoisotopic mass268.105927 Da
  • ChemSpider ID25995927

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,7R,9R,10R,14S)-12,12-Dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecan-3,5-dion [German] [ACD/IUPAC Name]
(1R,7R,9R,10R,14S)-12,12-Dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione [ACD/IUPAC Name]
(1R,7R,9R,10R,14S)-12,12-Diméthyl-11,13,15-trioxa-2,4-diazatétracyclo[7.5.1.02,7.010,14]pentadécane-3,5-dione [French] [ACD/IUPAC Name]
4,11-Epoxy-1,3-dioxolo[4,5-e]pyrimido[1,6-a]azepine-6,8(4H,7H)-dione, hexahydro-2,2-dimethyl-, (3aS,4R,9aR,11R,11aR)- [ACD/Index Name]
2',3,-O-ISOPROPYLIDENE-5'-DEOXY-6(R),5'-CYCLO-5,6-DIHYDROURIDINE

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: 1.600
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.24
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.24
Polar Surface Area: 77 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 182.2±5.0 cm3

Click to predict properties on the Chemicalize site


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