ChemSpider 2D Image | U7GBB0934J | C51H65N3O11S

U7GBB0934J

  • Molecular FormulaC51H65N3O11S
  • Average mass928.140 Da
  • Monoisotopic mass927.433960 Da
  • ChemSpider ID32701178

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

140616-46-2 [RN]
FLUORESCEIN LISICOL
L-Lysine, N6-[[[3-carboxy-4-(3,6-dihydroxy-9H-xanthen-9-yl)phenyl]amino]thioxomethyl]-N2-[(3α,5β,7α,12α,20R)-3,7,12-trihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]
N6-{[3-Carboxy-4-(3,6-dihydroxy-9H-xanthen-9-yl)phenyl]carbamothioyl}-N2-[(3α,5β,7α,12α,20R)-3,7,12-trihydroxy-24-oxocholan-24-yl]-L-lysin [German] [ACD/IUPAC Name]
N6-{[3-Carboxy-4-(3,6-dihydroxy-9H-xanthen-9-yl)phenyl]carbamothioyl}-N2-[(3α,5β,7α,12α,20R)-3,7,12-trihydroxy-24-oxocholan-24-yl]-L-lysine [ACD/IUPAC Name]
N6-{[3-Carboxy-4-(3,6-dihydroxy-9H-xanthén-9-yl)phényl]carbamothioyl}-N2-[(3α,5β,7α,12α,20R)-3,7,12-trihydroxy-24-oxocholan-24-yl]-L-lysine [French] [ACD/IUPAC Name]
U7GBB0934J
UNII:U7GBB0934J
UNII-U7GBB0934J

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

8369 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 251.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 3.15
ACD/KOC (pH 5.5): 7.93
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 99.7±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 685.6±3.0 cm3

Click to predict properties on the Chemicalize site


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