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5-ROX

CAT: 0931-T18890-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T18890-01Size:1 mg
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CAS Number
216699-35-3
Target
Others
Related Pathways
Others
Purity
0.9885
Bioactivity
5-ROX (5-Carboxy-X-rhodamine), a rhodamine dye, exhibits strong fluorescence in aqueous buffer with an excitation wavelength (λexit) of 580 nm (ε = 3.6x10^4/ (M·cm) ) and an emission wavelength (λemit) of 604 nm (φ = 0.94) .
Smiles
OC(=O)c1ccc2c(c1)C(=O)OC21c2cc3CCCN4CCCc(c2Oc2c5CCCN6CCCc(cc12)c56)c34
Molecular Formula
C33H30N2O5
Molecular Weight
534.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-carboxy-X-rhodamine

5-carboxy-X-rhodamine is an X-rhodamine compound having a carboxy substituent at the 5-position. It has a role as a fluorochrome. It derives from a hydride of a 2,3,6,7,12,13,16,17-octahydropyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium.

CAS Number216699-35-3
PubChem CID4097103
IUPAC Name3-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
Molecular FormulaC33H30N2O5
Molecular Weight534.6
XLogP4.4
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count40
Formal Charge0
Complexity1200
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
InChI
InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(24(17-20)33(38)39)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39)
InChIKey
UNGMOMJDNDFGJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-carboxy-X-rhodamine
CAS: 216699-35-3
CID: 4097103
Formula: C33H30N2O5
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass534.21547206
Monoisotopic Mass534.21547206
Topological Polar Surface Area92.9 Ų
Heavy Atom Count40
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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