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Texas Red-X, acid

CAT: 1489-T4050Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1489-T4050Size:50 mg
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CAS Number
199745-67-0

Chemical Information

texas red-X

Texas red-X is an organic heteroheptacyclic compound. It has a role as a fluorochrome.

CAS Number199745-67-0
PubChem CID12065191
IUPAC Name5-(5-carboxypentylsulfamoyl)-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)benzenesulfonate
Molecular FormulaC37H41N3O8S2
Molecular Weight719.9
XLogP2.9
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count50
Formal Charge0
Complexity1660
SMILES
C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)S(=O)(=O)NCCCCCC(=O)O)S(=O)(=O)[O-])CCC7
InChI
InChI=1S/C37H41N3O8S2/c41-32(42)12-2-1-3-15-38-49(43,44)25-13-14-26(31(22-25)50(45,46)47)33-29-20-23-8-4-16-39-18-6-10-27(34(23)39)36(29)48-37-28-11-7-19-40-17-5-9-24(35(28)40)21-30(33)37/h13-14,20-22,38H,1-12,15-19H2,(H-,41,42,45,46,47)
InChIKey
QOFZZTBWWJNFCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of texas red-X
CAS: 199745-67-0
CID: 12065191
Formula: C37H41N3O8S2
MW: 719.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight719.9
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass719.23350762
Monoisotopic Mass719.23350762
Topological Polar Surface Area173 Ų
Heavy Atom Count50
Formal Charge0
Complexity1660
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