Found 1 result

Search term: IXODIILSAZBDLI-HULFFUFUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | tert-butyl [(2E)-4-{2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}but-2-en-1-yl]carbamate | C27H35N5O7

tert-butyl [(2E)-4-{2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}but-2-en-1-yl]carbamate

  • Molecular FormulaC27H35N5O7
  • Average mass541.596 Da
  • Monoisotopic mass541.253662 Da
  • ChemSpider ID8657847

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2E)-4-{2,6-Diméthoxy-4-[(E)-2-(1,3,7-triméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)vinyl]phénoxy}-2-butén-1-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2E)-4-{2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)vinyl]phenoxy}-2-buten-1-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2E)-4-{2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)vinyl]phenoxy}-2-buten-1-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(2E)-4-[2,6-dimethoxy-4-[(E)-2-(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)ethenyl]phenoxy]-2-buten-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2E)-4-{2,6-dimethoxy-4-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}but-2-en-1-yl]carbamate
(4-{2,6-Dimethoxy-4-[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-vinyl]-phenoxy}-but-2-enyl)-carbamic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL282206/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.64
ACD/KOC (pH 5.5): 1446.96
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.64
ACD/KOC (pH 7.4): 1446.94
Polar Surface Area: 124 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 439.0±7.0 cm3

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