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Fluorescein octadecyl ester

CAT: 0862-GW3408-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0862-GW3408-50mgSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138833-46-2
Purity
97.00%
Molecular Formula
C38H48O5
Molecular Weight
584.78
Storage Conditions
+4°C
Hazardous Class
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Chemical Information

Chromoionophore XI
CAS Number138833-46-2
PubChem CID5179133
IUPAC Nameoctadecyl 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
Molecular FormulaC38H48O5
Molecular Weight584.8
XLogP11.6
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count20
Heavy Atom Count43
Formal Charge0
Complexity961
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O
InChI
InChI=1S/C38H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-42-38(41)32-21-18-17-20-31(32)37-33-24-22-29(39)27-35(33)43-36-28-30(40)23-25-34(36)37/h17-18,20-25,27-28,39H,2-16,19,26H2,1H3
InChIKey
UDHKRSZNYLYOEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chromoionophore XI
CAS: 138833-46-2
CID: 5179133
Formula: C38H48O5
MW: 584.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.8
XLogP311.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count20
Exact Mass584.35017463
Monoisotopic Mass584.35017463
Topological Polar Surface Area72.8 Ų
Heavy Atom Count43
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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