ChemSpider 2D Image | 15-[(1-Butoxy-1-oxo-3-sulfo-2-propanyl)amino]retinal | C27H41NO6S

15-[(1-Butoxy-1-oxo-3-sulfo-2-propanyl)amino]retinal

  • Molecular FormulaC27H41NO6S
  • Average mass507.682 Da
  • Monoisotopic mass507.265472 Da
  • ChemSpider ID8204818

  • Double-bond stereo - Double-bond stereo

More details:

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

15-[(1-Butoxy-1-oxo-3-sulfo-2-propanyl)amino]retinal [ACD/IUPAC Name]
15-[(1-Butoxy-1-oxo-3-sulfo-2-propanyl)amino]retinal [German] [ACD/IUPAC Name]
15-[(1-Butoxy-1-oxo-3-sulfo-2-propanyl)amino]rétinal [French] [ACD/IUPAC Name]
Retinal, 15-[[2-butoxy-2-oxo-1-(sulfomethyl)ethyl]amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.538
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 3.91
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 3.64
Polar Surface Area: 118 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 446.4±3.0 cm3

Click to predict properties on the Chemicalize site


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