Compound Summary
8-Bromo-cGMP sodium
Compound Information
8-Bromo-cGMP sodium
Compound Name: | 8-Bromo-cGMP sodium |
Compound CID: | 135510967 |
Synonyms: | 8-Bromo-cGMP sodium |
Iupac Name: | sodium;9-[(7aR)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-bromo-1H-purin-6-one |
InChI: | InChI=1S/C10H11BrN5O7P.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5;/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18);/q;+1/p-1/t2?,4?,5-,8?;/m0./s1 |
InChIKey: | ZJRFCXHKYQVNFK-HPUCVXDUSA-M |
Canonical Smiles: | C1C2C(C(C(O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+] |
Isomeric Smiles: | C1C2[C@@H](C(C(O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+] |
Molecular Weight: | 446.08 |
Molecular Formula: | C10H10BrN5NaO7P |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
8-Bromo-cGMP sodium
Molecular Weight: | 446.08 |
Molecular Formula: | C10H10BrN5NaO7P |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 25 |
Complexity: | 657 |
Synonyms
8-Bromo-cGMP sodium
Experimental Data
8-Bromo-cGMP sodium
Experimental Data Visualization
8-Bromo-cGMP sodium
Statistics Data
8-Bromo-cGMP sodium
Statistics Data Visualization
8-Bromo-cGMP sodium
