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Rp-8-CPT-cAMPS

CAT: 0013-GTR19189758Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189758Size:5 mg
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Description
Rp-8-CPT-cAMPS
CAS Number
129735-01-9
Field of Research
Signal Transduction
Smiles
Nc1ncnc2n ([C@@H]3O[C@@H]4CO[P@] (S) (=O) O[C@H]4[C@H]3O) c (Sc3ccc (Cl) cc3) nc12
Molecular Formula
C16H15ClN5O5PS2
Molecular Weight
487.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rp-8-CPT-cAMPS
CAS Number129735-01-9
PubChem CID23679060
IUPAC Namesodium (4aR,6R,7R,7aS)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular FormulaC16H14ClN5NaO5PS2
Molecular Weight509.9
Topological Polar Surface Area198
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity701
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3SC5=CC=C(C=C5)Cl)N)O)OP(=S)(O1)[O-].[Na+]
InChI
InChI=1S/C16H15ClN5O5PS2.Na/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(26-15)5-25-28(24,29)27-12;/h1-4,6,9,11-12,15,23H,5H2,(H,24,29)(H2,18,19,20);/q;+1/p-1/t9-,11-,12-,15-,28?;/m1./s1
InChIKey
AWXMSJRRXLCVMW-JVSRKQJHSA-M
Chemical Structure
2D Structure
2D structure of Rp-8-CPT-cAMPS
CAS: 129735-01-9
CID: 23679060
Formula: C16H14ClN5NaO5PS2
MW: 509.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight509.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass508.9760199
Monoisotopic Mass508.9760199
Topological Polar Surface Area198 Ų
Heavy Atom Count31
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes