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Chemical structure of 5-ROX

GC15796

5-ROX

Also known as 3-carboxy-4-(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

5-ROX (5-Carboxy-X-rhodamine), a rhodamine dye, exhibits strong fluorescence property in aqueous buffer with the λexit of 580 nm (ε=3·6×104 M-1 cm-1), and λemit of 604 nm (?=0·94)

ChemicalCAS216699-35-3MW534.6FormulaC33H30N2O5
CAS number
216699-35-3
Molecular weight
534.6
Formula
C33H30N2O5
Solubility
DMSO ： 125 mg/mL (233·82 mM; Need ultrasonic)
InChIKey
UNGMOMJDNDFGJG-UHFFFAOYSA-N
Catalogue number
GC15796
Brand
GLPBIO
Computed properties PubChem CID 4097103 · XLogP 4.4 · TPSA 92.9 Ų · H-bond donors 1
XLogP
4.4
TPSA
92.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
40

SMILES C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)C(=O)[O-])C(=O)O)CCC7

Computed descriptors from PubChem (CID 4097103), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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