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5-aminofluorescein; 6-amino-3',6'-dihydroxyspiro[2-benzofuran-1,9'-xanthen]-3-one

5-aminofluorescein; 6-amino-3',6'-dihydroxyspiro[2-benzofuran-1,9'-xanthen]-3-one

CAS: 27599-63-9

Formula: C40H26N2O10

SMILES: NC1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.NC1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2

IUPAC: 5-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one; 6-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

InChI: InChI=1S/2C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20;21-10-1-4-13-16(7-10)20(26-19(13)24)14-5-2-11(22)8-17(14)25-18-9-12(23)3-6-15(18)20/h2*1-9,22-23H,21H2

Composition: C (69.16%), H (3.77%), N (4.03%), O (23.03%)

Molar Mass: 694.652

Atom Count: 78

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 694.158745045
Formal Charge 0
FSP3 0.05
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey QVNYARGEYTXDMK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.92
Topological Polar Surface Area 102.01
Polarizability 35.55
Ring Count 10
Rotatable Bond Count 0

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