6-Carboxy-X-rhodamine, succinimidyl ester (6-ROX, SE) - BioReagent,for microscopy,Biological Stain,for fluorescence analysis,≥95% , CAS No.216699-36-4

CAS: 216699-36-4 Cat. No.: R664145 Molecular Weight: 631.674 EC Number: 634-980-1 PubChem CID: 2762610

GRADE & PURITY BioReagent, Biological Stain, for Fluorescence analysis, for Microscopy, ≥95%

Synonyms

6-ROX, SE | 9-(2-Carboxy-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium inner salt | 6-Carboxy-X-rhodamine, succinimidyl ester (single isomer)

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Application

Cell Staining, Fluorescence Analysis

Overview

6-Carboxy-X-rhodamine, succinimidyl ester (6-ROX, SE) is a fluorescent dye for oligonucleotide labeling and automated DNA sequencing.

Specifications

Synonyms

6-ROX, SE | 9-(2-Carboxy-5-(((2, 5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-2, 3, 6, 7, 12, 13, 16, 17-octahydro-1H, 5H, 11H, 15H-xantheno[2, 3, 4-ij:5, 6, 7-i'j']diquinolizin-18-ium inner salt | 6-Carboxy-X-rhodamine, succinimidyl ester (single isomer)

Specifications & Purity

BioReagent, for microscopy, Biological Stain, for fluorescence analysis, ≥95%

Stability And Storage

Store at -20℃ long term (12 months). Store in the dark.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Biological Stain, BioReagent, for Fluorescence analysis, for Microscopy

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)ON9C(=O)CCC9=O)C(=O)[O-])CCC7
• IUPAC Name: 4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
• InChIKey: KWADUASJUMATIK-UHFFFAOYSA-N
• INCHI: 1S/C37H33N3O7/c41-29-11-12-30(42)40(29)47-37(45)22-9-10-23(36(43)44)26(19-22)31-27-17-20-5-1-13-38-15-3-7-24(32(20)38)34(27)46-35-25-8-4-16-39-14-2-6-21(33(25)39)18-28(31)35/h9-10,17-19H,1-8,11-16H2
• Isomeric SMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)ON9C(=O)CCC9=O)C(=O)[O-])CCC7
• PubChem CID: 2762610
• Molecular Weight: 631.674

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: P-phthalic acid and derivatives Diarylethers Hydroquinolines Benzoic acids Benzoyl derivatives Dialkylarylamines Aralkylamines Pyrrolidine-2-ones Dicarboxylic acids and derivatives Dicarboximides Amino acids Lactams Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Para_phthalic_acid - Diaryl ether - Tetrahydroquinoline - Benzoic acid or derivatives - Benzoic acid - Tertiary aliphatic/aromatic amine - Benzoyl - Dialkylarylamine - Aralkylamine - 2-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Pyrrolidone - Dicarboxylic acid or derivatives - Pyrrolidine - Dicarboximide - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Ether - Oxacycle - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in DMSO: 4.17 mg/mL (6.60 mM; sonication-assisted dissolution). Hygroscopic DMSO significantly affects the solubility of the product; please use freshly opened DMSO.
• Sensitivity: Light-sensitive
• Molecular Weight: 631.700 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 631.232 Da
• Monoisotopic Mass: 631.232 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1490.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1