ChemSpider 2D Image | 6-({6-[(2-Cyanoethoxy)(diisopropylamino)methoxy]hexyl}carbamoyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) | C47H59N3O10

6-({6-[(2-Cyanoethoxy)(diisopropylamino)methoxy]hexyl}carbamoyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)

  • Molecular FormulaC47H59N3O10
  • Average mass825.985 Da
  • Monoisotopic mass825.420044 Da
  • ChemSpider ID17339829

More details:

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

[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]methoxy]hexylcarbamoyl]-6'-(2,2-dimethylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2,2-dimethylpropanoate
6-({6-[(2-Cyanethoxy)(diisopropylamino)methoxy]hexyl}carbamoyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl-bis(2,2-dimethylpropanoat) [German] [ACD/IUPAC Name]
6-({6-[(2-Cyanoethoxy)(diisopropylamino)methoxy]hexyl}carbamoyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) [ACD/IUPAC Name]
Bis(2,2-diméthylpropanoate) de 6-({6-[(2-cyanoéthoxy)(diisopropylamino)méthoxy]hexyl}carbamoyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 6-[[[6-[[bis(1-methylethyl)amino](2-cyanoethoxy)methoxy]hexyl]amino]carbonyl]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl ester [ACD/Index Name]
6-FAM-amidite

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

30372_FLUKA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 888.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 491.1±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 224.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 37071.68
ACD/KOC (pH 5.5): 44109.41
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 139031.02
ACD/KOC (pH 7.4): 165424.84
Polar Surface Area: 163 Å2
Polarizability: 89.1±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 669.6±5.0 cm3

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