R6G azide, 5-isomer

Name: R6G azide, 5-isomer
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	F05-0011
Category	Rhodamine
Molecular Formula	C30H32N6O4
Molecular Weight	540.61

Catalog Number	Size	Price	Quantity
F05-0011	--	$--

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Product Introduction

R6G (rhodamine 6G) is a yellow emitting xanthene dye. It has been used for DNA sequencing before. Now this dye is often used for qPCR. This is a pure 5-isomer of R6G with azide group.

Chemical Information
Product Specification

Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	5-(3-azidopropylcarbamoyl)-2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid
Canonical SMILES	CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=C(C=C(C=C4)C(=O)NCCCN=[N+]=[N-])C(=O)O
InChI	InChI=1S/C30H32N6O4/c1-5-32-24-15-26-22(12-17(24)3)28(23-13-18(4)25(33-6-2)16-27(23)40-26)20-9-8-19(14-21(20)30(38)39)29(37)34-10-7-11-35-36-31/h8-9,12-16,32H,5-7,10-11H2,1-4H3,(H,34,37)(H,38,39)
InChI Key	DQUMJWCOENERIZ-UHFFFAOYSA-N
Solubility	Good in DMF, DMSO, alcohols
Appearance	Orange to Brown powder

CF260	0.18
CF280	0.17
Fluorescence Quantum Yield	0.95
Mass Spec M+ Increment	540.3
Excitation	519
Emission	546
Storage	Storage: 24 months after receival at -20 °C in the Dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Computed Properties
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	540.24850352 g/mol
Monoisotopic Mass	540.24850352 g/mol
Topological Polar Surface Area	114Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes