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Cyclic-di-GMP disodium

CAT: 0127-BUP16313-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16313-01Size:1 mg
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CAS Number
2222132-40-1
Synonyms
Cyclic diguanylate, 5GP-5GP disodium, 3',5'-Cyclic diguanylic acid, Cyclic di-GMP (sodium salt), cyclic diguanylate disodium, c-di-GMP, c-di-GMP disodium
Purity
=98%
Smiles
O=C1C2=C(NC(N)=N1)N([C@H]3[C@@H]([C@@]4([H])[C@](COP([O-])(O[C@]5([H])[C@@](O[C@@H](N6C7=C(C(N=C(N7)N)=O)N=C6)[C@@H]5O)([H])COP([O-])(O4)=O)=O)([H])O3)O)C=N2.[Na+].[Na+]

Chemical Information

Cyclic-di-GMP disodium
CAS Number2222132-40-1
PubChem CID137120247
IUPAC Namedisodium;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 FormulaC20H22N10Na2O14P2
Molecular Weight734.4
Topological Polar Surface Area347
Hydrogen Bond Donor Count6
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-].[Na+].[Na+]
InChI
InChI=1S/C20H24N10O14P2.2Na/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);;/q;2*+1/p-2/t5-,6-,9-,10-,11-,12-,17-,18-;;/m1../s1
InChIKey
SVIXOIGPVFFABR-XDODWTFASA-L
Chemical Structure
2D Structure
2D structure of Cyclic-di-GMP disodium
CAS: 2222132-40-1
CID: 137120247
Formula: C20H22N10Na2O14P2
MW: 734.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight734.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count2
Exact Mass734.05875797
Monoisotopic Mass734.05875797
Topological Polar Surface Area347 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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Alternative Products

CatalogName
T36983-01Cyclic-di-GMP disodium
HY-110382-01Cyclic-di-GMP (disodium)
HY-1342426-T-5'-GMP (disodium)
HY-12326A-01C-di-AMP (disodium)
MBS5824410C-di-IMP disodium
T73873-01C-di-AMP disodium
HY-137724A-01C-di-IMP (disodium)
TXB-00785-012',3'-Cyclic NADP disodium
HY-137672A2',3'-Cyclic NADP (disodium)
GB0493Guanosine-5'-monophosphate [GMP], disodium salt

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