ChemSpider 2D Image | (1R,9S,10R)-10-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.0~2,7~]dodeca-3,6-dien-5-one | C31H30N2O6

(1R,9S,10R)-10-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one

  • Molecular FormulaC31H30N2O6
  • Average mass526.580 Da
  • Monoisotopic mass526.210388 Da
  • ChemSpider ID23977361

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,9S,10R)-10-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-on [German] [ACD/IUPAC Name]
(1R,9S,10R)-10-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one [ACD/IUPAC Name]
(1R,9S,10R)-10-{[Bis(4-méthoxyphényl)(phényl)méthoxy]méthyl}-4-méthyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodéca-3,6-dién-5-one [French] [ACD/IUPAC Name]
191474-13-2 [RN]
2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one, 3-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3-dihydro-8-methyl-, (2S,3R,5R)- [ACD/Index Name]
(2S,3R,5R)-3-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-8-methyl-2,3-dihydro-5H,9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-9-one
5'-O-(4,4'-Dimethoxytrityl)-2,3'-anhydrothymidine
5-O-(4,4-DIMETHOXYTRITYL)-2,3-ANHYDROTHYMIDINE
5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2,3'-anhydrothymidine
5'-O-DMT-2,3'-anhydrothymidine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 654.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3154.05
ACD/KOC (pH 5.5): 11119.49
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3154.05
ACD/KOC (pH 7.4): 11119.49
Polar Surface Area: 79 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 407.8±7.0 cm3

Click to predict properties on the Chemicalize site


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