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Cyclic-di-GMP diammonium

CAT: 0931-T72243-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72243-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
609343-82-0
Target
Endogenous Metabolite, STING, Others
Related Pathways
Metabolism, Immunology/Inflammation, Others
Bioactivity
Cyclic di-GMP (c-di-GMP) diammonium is a STING activator and a global bacterial second messenger, which regulates biofilm formation, motility, and virulence in diverse bacterial species .
Smiles
O=C1C2=C(N(C=N2)[C@H]3[C@H](O)[C@]4([C@](O3)(COP(=O)(O)O[C@@]5([C@@](COP(=O)(O)O4)(O[C@H]([C@@H]5O)N6C7=C(N=C6)C(=O)N=C(N)N7)[H])[H])[H])[H])NC(N)=N1.N
Molecular Formula
C20H30N12O14P2
Molecular Weight
724.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclic-di-GMP diammonium
CAS Number609343-82-0
PubChem CID162640464
IUPAC Namediazanium;2-amino-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-dihydroxy-3,12-dioxido-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
Molecular FormulaC20H30N12O14P2
Molecular Weight724.5
Topological Polar Surface Area349
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count2
Heavy Atom Count48
Formal Charge0
Complexity1320
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)O)OP(=O)(O1)[O-])[O-].[NH4+].[NH4+]
InChI
InChI=1S/C20H24N10O14P2.2H3N/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34;;/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34);2*1H3/t5-,6-,9-,10-,11-,12-,17-,18-;;/m1../s1
InChIKey
ORSUSHQNAQSNEL-XDODWTFASA-N
Chemical Structure
2D Structure
2D structure of Cyclic-di-GMP diammonium
CAS: 609343-82-0
CID: 162640464
Formula: C20H30N12O14P2
MW: 724.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight724.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count2
Exact Mass724.14796767
Monoisotopic Mass724.14796767
Topological Polar Surface Area349 Ų
Heavy Atom Count48
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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