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Sp-2′-O-MB-cAMPS

CAT: 1106-BLG-M005-25Size: 5x 5 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-M005-25Size:5x 5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152218-23-0
Product Name Alternative
2′-O-Monobutyryladenosine-3′,5′-cyclic monophosporothioate . sodium salt, Sp-isomer
Certification
RUO
Type
Modified nucleotides
Purity
> 97% HPLC
Molecular Formula
C 14 H 17 N 5 O 6 PS . Na
Molecular Weight
437.4
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

sodium;[(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
CAS Number152218-23-0
PubChem CID44755105
IUPAC Namesodium [(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Molecular FormulaC14H17N5NaO6PS
Molecular Weight437.35
Topological Polar Surface Area179
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity637
SMILES
CCCC(=O)O[C@@H]1[C@H]2[C@@H](COP(=S)(O2)[O-])O[C@H]1N3C=NC4=C(N=CN=C43)N.[Na+]
InChI
InChI=1S/C14H18N5O6PS.Na/c1-2-3-8(20)24-11-10-7(4-22-26(21,27)25-10)23-14(11)19-6-18-9-12(15)16-5-17-13(9)19;/h5-7,10-11,14H,2-4H2,1H3,(H,21,27)(H2,15,16,17);/q;+1/p-1/t7-,10-,11-,14-,26?;/m1./s1
InChIKey
FZOXLIBSZNOQJC-LLBCGFEYSA-M
Chemical Structure
2D Structure
2D structure of sodium;[(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
CAS: 152218-23-0
CID: 44755105
Formula: C14H17N5NaO6PS
MW: 437.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass437.05348573
Monoisotopic Mass437.05348573
Topological Polar Surface Area179 Ų
Heavy Atom Count28
Formal Charge0
Complexity637
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