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Home > Fluorides > 887406-94-2
887406-94-2 | O-Methyl-O-(N-Butylfluorescein)phosphate
CAS No: 887406-94-2 Catalog No: AG004E1L MDL No:
Product Description
Catalog Number:
AG004E1L
Chemical Name:
O-Methyl-O-(N-Butylfluorescein)phosphate
CAS Number:
887406-94-2
Molecular Formula:
C25H23O8P
Molecular Weight:
482.4191
IUPAC Name:
(6'-butoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) methyl hydrogen phosphate
InChI:
InChI=1S/C25H23O8P/c1-3-4-13-30-16-9-11-20-22(14-16)31-23-15-17(33-34(27,28)29-2)10-12-21(23)25(20)19-8-6-5-7-18(19)24(26)32-25/h5-12,14-15H,3-4,13H2,1-2H3,(H,27,28)
InChI Key:
GWWJRRTUWNPCPO-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OP(=O)(OC)O
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.113g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
482.425g/mol
Monoisotopic Mass:
482.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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