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C-diIMP

CAT: 1106-BLG-C105-05Size: 5x 1 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-C105-05Size:5x 1 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79940-41-3
Product Name Alternative
Cyclic diinosine monophosphate . sodium salt
Certification
RUO
Type
Modified nucleotides
Purity
> 95% HPLC
Solubility
Soluble in water.
Molecular Formula
C 20 H 22 N 8 O 14 P 2 (free acid)
Molecular Weight
660.4 (free acid)
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

C-di-IMP
CAS Number79940-41-3
PubChem CID135567332
IUPAC Name9-[(1S,6R,8R,9R,10S,15R,17R,18R)-3,9,12,18-tetrahydroxy-3,12-dioxo-17-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
Molecular FormulaC20H22N8O14P2
Molecular Weight660.4
XLogP-5.6
Topological Polar Surface Area289
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count2
Heavy Atom Count44
Formal Charge0
Complexity1240
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CNC4=O)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CNC7=O)O)OP(=O)(O1)O)O
InChI
InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey
VFTRASQVWRBMKD-XPWFQUROSA-N
Chemical Structure
2D Structure
2D structure of C-di-IMP
CAS: 79940-41-3
CID: 135567332
Formula: C20H22N8O14P2
MW: 660.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight660.4
XLogP3-5.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count2
Exact Mass660.07307140
Monoisotopic Mass660.07307140
Topological Polar Surface Area289 Ų
Heavy Atom Count44
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes