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5 (6) -FITC 100mg

CAT: 0628-A21116-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A21116-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27072-45-3

Chemical Information

3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

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CAS Number27072-45-3
PubChem CID56973708
IUPAC Name3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one;3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC42H22N2O10S2
Molecular Weight778.8
Topological Polar Surface Area241
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count2
Heavy Atom Count56
Formal Charge0
Complexity1340
SMILES
C1=CC2=C(C=C1N=C=S)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/2C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21;23-12-2-5-15-18(8-12)26-19-9-13(24)3-6-16(19)21(15)17-7-11(22-10-28)1-4-14(17)20(25)27-21/h2*1-9,23-24H
InChIKey
AEWCEHLYVLRLBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
CAS: 27072-45-3
CID: 56973708
Formula: C42H22N2O10S2
MW: 778.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight778.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count2
Exact Mass778.07158725
Monoisotopic Mass778.07158725
Topological Polar Surface Area241 Ų
Heavy Atom Count56
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CFI-100mgFITC-inulin, 100mg
CFP70-100mgFITC-Polysucrose 70kDa, 100mg
CFD70-100mgFITC-dextran 70kDa, 100mg
CFP170-100mgFITC-Polysucrose 170kDa, 100mg
CFD40-100mgFITC-dextran 40kDa, 100mg
CFD150-100mgFITC-dextran 150kDa, 100mg
CFD4-100mgFITC-dextran 4kDa, 100mg
CFP400-100mgFITC-Polysucrose 400kDa, 100mg
CFD20-100mgFITC-dextran 20kDa, 100mg
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