Found 3 results

Search term: MF = 'C_{42}H_{37}N_{5}O_{8}'
ChemSpider 2D Image | 2-(9-[(3aR,4R,6R,6aR)-6-(Hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-9H-purin-6-yl)-1H-isoindole-1,3(2H)-dione | C42H37N5O8

2-(9-[(3aR,4R,6R,6aR)-6-(Hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-9H-purin-6-yl)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC42H37N5O8
  • Average mass739.772 Da
  • Monoisotopic mass739.264221 Da
  • ChemSpider ID26587610

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-(9-[(3aR,4R,6R,6aR)-6-(Hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-9H-purin-6-yl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(9-[(3aR,4R,6R,6aR)-6-(Hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-9H-purin-6-yl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(9-[(3aR,4R,6R,6aR)-6-(Hydroxyméthyl)-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-{[(4-méthoxyphényl)(diphényl)méthoxy]méthyl}-9H-purin-6-yl)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 200.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 62327.08
ACD/KOC (pH 5.5): 94103.67
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 62329.07
ACD/KOC (pH 7.4): 94106.67
Polar Surface Area: 147 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 518.2±7.0 cm3

Click to predict properties on the Chemicalize site


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