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Decanoyl fluorescein

CAT: 0931-T31350-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T31350-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7274-07-9
Target
Others
Related Pathways
Others
Bioactivity
Decanoyl fluorescein is a biochemical.
Smiles
O=C1OC2(C3=CC=C(O)C=C3OC4=CC(OC(=O)CCCCCCCCC)=CC=C42)C=5C=CC=CC15
Molecular Formula
C30H30O6
Molecular Weight
486.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Decanoyl fluorescein

structure given in first source

CAS Number7274-07-9
PubChem CID151511
IUPAC Name7-decanoyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC30H30O6
Molecular Weight486.6
XLogP7.2
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity755
SMILES
CCCCCCCCCC(=O)C1=C2C(=CC=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C30H30O6/c1-2-3-4-5-6-7-8-12-25(33)21-10-9-11-24-28(21)29(34)36-30(24)22-15-13-19(31)17-26(22)35-27-18-20(32)14-16-23(27)30/h9-11,13-18,31-32H,2-8,12H2,1H3
InChIKey
KAGNITIQFPNVCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decanoyl fluorescein
CAS: 7274-07-9
CID: 151511
Formula: C30H30O6
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP37.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass486.20423867
Monoisotopic Mass486.20423867
Topological Polar Surface Area93.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity755
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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MBS5816122Decanoyl coenzyme A
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581954Decanoyl-coenzyme A
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