8-Bromo-cyclic amp sodium

C10H10BrN5NaO6PCAS 76939-46-3430.09 g/mol

Open in Covalent MOL file
ONNNNBrNH2OHOPOOO−Na+
AlcoholAryl halideEtherPhosphatePrimary amine

Properties

Molecular formula
C10H10BrN5NaO6P
Molar mass
430.09 g/mol
Exact mass
428.9450 Da
logP
-3.68Crippen estimate
Polar surface area
157.7 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
1
Stereocentres
R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
76939-46-3
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)[O-].[Na+]
InChIKey
DMRMZQATXPQOTP-GWTDSMLYSA-M
InChI
InChI=1S/C10H11BrN5O6P.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14);/q;+1/p-1/t3-,5-,6-,9-;/m1./s1

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Names and synonyms

1 names
  • 8-Bromoadenosine-3',5'-cyclic monophosphate sodium salt

Work with 8-Bromo-cyclic amp sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3′,5′-cAMP sodium salt37839-81-972 % similar 8-Bromoadenosine2946-39-658 % similar Trisodium adenosine 5′-diphosphate2092-65-153 % similar Sodium adenosine 5′-diphosphate20398-34-953 % similar Adenosine-5′-diphosphate disodium salt16178-48-652 % similar Cyclic adenosine monophosphate60-92-451 % similar ATP disodium987-65-551 % similar Adenosine 5′-monophosphate disodium4578-31-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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