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CAMPS. TEA, Sp-isomer

CAT: 0926-NA08995-01Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-NA08995-01Size:0.5 mg
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CAS Number
93602-66-5
Synonyms
Adenosine 3',5'-cyclic monophosphorothioate Sp-isomer triethylammonium salt; Sp-cAMPS. TEA
MDL Number
MFCD01459901
Smiles
CC[NH+] (CC) CC.C1C2C (C (C (O2) N3C=NC4=C (N=CN=C43) N) O) OP (=S) (O1) [O-]
Molecular Formula
C10H11N5O5PS·C6H16N
Molecular Weight
446.46 g/mol
Controlled
No

Chemical Information

Rp-cAMPS triethylammonium salt
CAS Number93602-66-5
PubChem CID16218857
IUPAC Name(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;N,N-diethylethanamine
Molecular FormulaC16H27N6O5PS
Molecular Weight446.5
Topological Polar Surface Area173
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity528
SMILES
CCN(CC)CC.C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=S)(O1)O
InChI
InChI=1S/C10H12N5O5PS.C6H15N/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7;1-4-7(5-2)6-3/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13);4-6H2,1-3H3/t4-,6-,7-,10-,21?;/m1./s1
InChIKey
OXIPZMKSNMRTIV-NVGWRVNNSA-N
Chemical Structure
2D Structure
2D structure of Rp-cAMPS triethylammonium salt
CAS: 93602-66-5
CID: 16218857
Formula: C16H27N6O5PS
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass446.15012615
Monoisotopic Mass446.15012615
Topological Polar Surface Area173 Ų
Heavy Atom Count29
Formal Charge0
Complexity528
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

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Alternative Products

CatalogName
217147Adenosine 3’,5’-cyclic Monophosphorothioate, Sp-Isomer, Triethylammonium Salt (Adenosine 3’,5’-cyclic Phosphorothioate-Sp, Sp-cAMPS, TEA)
217146Adenosine 3’,5’-cyclic Monophosphorothioate, Rp-Isomer, Triethylammonium Salt (Adenosine 3’,5’-cyclic Phosphorothioate-Rp, Rp-cAMPS, TEA, PKA Inhibitor V)
TRC-S683608-100MGSp-cAMPS
A 003-10 SAdenosine- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-cAMPS), sodium salt
MBS256357-01Adenosine- 3', 5'- monophosphorothioate acetoxymethyl ester, Sp- isomer (Sp-cAMPS-AM)
MBS256333-01Adenosine- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-cAMPS), economy grade
T88508-01Sp-cAMPS-AM
MBS5815797Sp-cAMPS triethylamine
A 035-05Adenosine- 3', 5'- cyclic monophosphorothioate acetoxymethyl ester, Sp- isomer (Sp-cAMPS-AM)
A 003-10 TAdenosine- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-cAMPS), triethyl ammonium salt

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