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Search term: NHCYAAGGNJPTQI-UHFFFAOYAZ (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(Benzyloxy)ethyl [6a-(allyloxy)-4-[(benzyloxy)imino]-10-(3-formylphenoxy)-1,2-bis(4-hydroxybutyl)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](4-fluorobenzyl)carbamate | C58H63FN2O10

2-(Benzyloxy)ethyl [6a-(allyloxy)-4-[(benzyloxy)imino]-10-(3-formylphenoxy)-1,2-bis(4-hydroxybutyl)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](4-fluorobenzyl)carbamate

  • Molecular FormulaC58H63FN2O10
  • Average mass967.127 Da
  • Monoisotopic mass966.446655 Da
  • ChemSpider ID2780424

More details:

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

[6a-(Allyloxy)-4-[(benzyloxy)imino]-10-(3-formylphénoxy)-1,2-bis(4-hydroxybutyl)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl](4-fluorobenzyl)carbamate de 2-(benzyloxy)éthyle [French] [ACD/IUPAC Name]
2-(Benzyloxy)ethyl [6a-(allyloxy)-4-[(benzyloxy)imino]-10-(3-formylphenoxy)-1,2-bis(4-hydroxybutyl)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](4-fluorobenzyl)carbamate [ACD/IUPAC Name]
2-(Benzyloxy)ethyl-[6a-(allyloxy)-4-[(benzyloxy)imino]-10-(3-formylphenoxy)-1,2-bis(4-hydroxybutyl)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](4-fluorbenzyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(4-fluorophenyl)methyl]-N-[10-(3-formylphenoxy)-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-4-[(phenylmethoxy)imino]-6a-(2-propen-1-yloxy)benzo[kl]xanthen-6-yl]-, 2-(pheny lmethoxy)ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 985.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.6±3.0 kJ/mol
Flash Point: 550.1±37.1 °C
Index of Refraction: 1.599
Molar Refractivity: 268.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 11.93
ACD/LogD (pH 5.5): 11.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 146 Å2
Polarizability: 106.4±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 785.5±7.0 cm3

Click to predict properties on the Chemicalize site


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