ChemSpider 2D Image | 4-O-(2-HYDROXY-2-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHYL) SALMETEROL | C34H47NO7

4-O-(2-HYDROXY-2-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHYL) SALMETEROL

  • Molecular FormulaC34H47NO7
  • Average mass581.740 Da
  • Monoisotopic mass581.335266 Da
  • ChemSpider ID32702277

More details:

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

1,3-Benzenedimethanol, 4-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethoxy]-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- [ACD/Index Name]
1391052-04-2 [RN]
4-{1-Hydroxy-2-[2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenoxy]ethyl}-2-(hydroxymethyl)phenol [German] [ACD/IUPAC Name]
4-{1-Hydroxy-2-[2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenoxy]ethyl}-2-(hydroxymethyl)phenol [ACD/IUPAC Name]
4-{1-Hydroxy-2-[2-(hydroxyméthyl)-4-(1-hydroxy-2-{[6-(4-phénylbutoxy)hexyl]amino}éthyl)phénoxy]éthyl}-2-(hydroxyméthyl)phénol [French] [ACD/IUPAC Name]
4-O-(2-HYDROXY-2-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHYL) SALMETEROL
4-[1-hydroxy-2-[2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenoxy]ethyl]-2-(hydroxymethyl)phenol
4-o-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl] salmeterol

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

446ID5759Z [DBID]
UNII:446ID5759Z [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: 784.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.2±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 10.02
Polar Surface Area: 132 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 487.0±3.0 cm3

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