6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one

C20H13NO5CAS 51649-83-3347.33 g/mol

Open in Covalent MOL file
H2NOOOHOHO
EsterEtherLactonePhenolPrimary amine

Properties

Molecular formula
C20H13NO5
Molar mass
347.33 g/mol
Exact mass
347.0794 Da
logP
3.25Crippen estimate
Polar surface area
102.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
51649-83-3
SMILES
Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21
InChIKey
YOAWSYSKQHLFPM-UHFFFAOYSA-N
InChI
InChI=1S/C20H13NO5/c21-10-1-4-13-16(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/h1-9,22-23H,21H2

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Names and synonyms

7 names
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6-amino-3′,6′-dihydroxy-
  • Fluorescein amine II
  • Fluorescein, 6-amino-
  • 5-Aminofluorescein
  • Fluorescein amine isomer II
  • 6-Aminofluorescein
  • 6-Amino-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one

Work with 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fluorescein2321-07-571 % similar 6-Carboxyfluorescein3301-79-967 % similar 3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid72088-94-963 % similar Fluorescein 6-isothiocyanate18861-78-462 % similar 5-FAM76823-03-561 % similar Carboxyfluorescein succinimidyl ester92557-81-860 % similar Fluorescein 5-isothiocyanate3326-32-756 % similar 5-Carboxyfluorescein N-succinimidyl ester92557-80-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Aminofluorescein3326-34-9

Elsewhere

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