Structure

5-FAM

CAS
76823-03-5
Catalog Number
ACM76823035-1
Category
Fluorescein Fluorophores
Molecular Weight
376.32
Molecular Formula
C21H12O7

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Specification

Synonyms
5-Carboxyfluorescein
IUPAC Name
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylicacid
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChI Key
NJYVEMPWNAYQQN-UHFFFAOYSA-N
Boiling Point
725.2 ± 60.0 °C
Melting Point
368 - 372 °C
Density
1.73 ± 0.1 g/ml
Appearance
Yellow powder
Storage
-20 °C in the dark
Emission Maximum
518 nm
Excitation Maximum
492 nm
What is the molecular formula of 5-carboxyfluorescein?

The molecular formula of 5-carboxyfluorescein is C21H12O7.

What is the molecular weight of 5-carboxyfluorescein?

The molecular weight of 5-carboxyfluorescein is 376.3 g/mol.

What is the IUPAC name of 5-carboxyfluorescein?

The IUPAC name of 5-carboxyfluorescein is 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid.

What is the InChIKey of 5-carboxyfluorescein?

The InChIKey of 5-carboxyfluorescein is NJYVEMPWNAYQQN-UHFFFAOYSA-N.

What is the canonical SMILES of 5-carboxyfluorescein?

The canonical SMILES of 5-carboxyfluorescein is C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.

What is the CAS number of 5-carboxyfluorescein?

The CAS number of 5-carboxyfluorescein is 76823-03-5.

What is the hydrogen bond donor count of 5-carboxyfluorescein?

The hydrogen bond donor count of 5-carboxyfluorescein is 3.

What is the hydrogen bond acceptor count of 5-carboxyfluorescein?

The hydrogen bond acceptor count of 5-carboxyfluorescein is 7.

What is the topological polar surface area of 5-carboxyfluorescein?

The topological polar surface area of 5-carboxyfluorescein is 113 Å2.

What is the complexity of 5-carboxyfluorescein?

The complexity of 5-carboxyfluorescein is 637.

Upstream Synthesis Route 1

  • 108-46-3
  • 552-30-7
  • 3301-79-9
  • 76823-03-5

Reference: [1] Russian Journal of General Chemistry, 1995, vol. 65, # 3.2, p. 454 - 456

Upstream Synthesis Route 2

  • 100-44-7
  • 108-46-3
  • 552-30-7
  • 3301-79-9
  • 76823-03-5

Reference: [1] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2016, vol. 169, p. 66 - 71

Upstream Synthesis Route 3

  • 108-46-3
  • 552-30-7
  • 76823-03-5

Reference: [1]Chemical Communications,2003,p. 2870 - 2871
[2]Patent: US2017/292957,2017,A1 .Location in patent: Paragraph 0412
[3]Patent: WO2017/197014,2017,A2 .Location in patent: Page/Page column 129

Downstream Synthesis Route 1

  • 20444-09-1
  • 76823-03-5
  • 858343-03-0

Reference: [1]Chemical Communications,2003,p. 2870 - 2871

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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