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CU-CPT17e

CAT: 0013-GTR19156246-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156246-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CU-CPT17e is a potent agonist of TLR (TLR3, TLR8, and TLR9) .
CAS Number
2109805-75-4
Purity
>98% (HPLC)
Solubility
DMSO:10 mM (Need ultrasonic and warming)
Smiles
O=[N+] ([O-]) C (C=C1) =CC=C1COC2=CC (C=CC3 (CCOCC3) O4) =C4C=C2OCC5=CC=C ([N+] ([O-]) =O) C=C5
Molecular Formula
C27H24N2O8
Molecular Weight
504.49
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

CU-CPT17e
CAS Number2109805-75-4
PubChem CID132585194
IUPAC Name6,7-bis[(4-nitrophenyl)methoxy]spiro[chromene-2,4'-oxane]
Molecular FormulaC27H24N2O8
Molecular Weight504.5
XLogP5
Topological Polar Surface Area129
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity804
SMILES
C1COCCC12C=CC3=CC(=C(C=C3O2)OCC4=CC=C(C=C4)[N+](=O)[O-])OCC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C27H24N2O8/c30-28(31)22-5-1-19(2-6-22)17-35-25-15-21-9-10-27(11-13-34-14-12-27)37-24(21)16-26(25)36-18-20-3-7-23(8-4-20)29(32)33/h1-10,15-16H,11-14,17-18H2
InChIKey
LHTNFHWDTHQECR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CU-CPT17e
CAS: 2109805-75-4
CID: 132585194
Formula: C27H24N2O8
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass504.15326573
Monoisotopic Mass504.15326573
Topological Polar Surface Area129 Ų
Heavy Atom Count37
Formal Charge0
Complexity804
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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