chempirical

5'-Sulfamoyl-2-chloroadenosine

C10H13ClN6O6SCAS 66522-52-9380.76 g/mol

Open in Covalent MOL file
NNNNOOSOOH2NHOOHClNH2
AlcoholAryl halideEtherPrimary amine

Properties

Molecular formula
C10H13ClN6O6S
Molar mass
380.76 g/mol
Exact mass
380.0306 Da
logP
-2.10Crippen estimate
Polar surface area
188.7 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
4
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
66522-52-9
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N
InChIKey
JHUGCRSKMUFKHR-UUOKFMHZSA-N
InChI
InChI=1S/C10H13ClN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5'-Sulfamoyl-2-chloroadenosine

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

2-Chloroadenosine146-77-068 % similar Adenosine, 2-chloro-, hydrate (2:1)81012-94-465 % similar Clofarabine123318-82-156 % similar (2R,3R,4S,5R)-2-(2,6-Dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol13276-52-353 % similar Isoguanosine1818-71-952 % similar Fludarabine phosphate75607-67-952 % similar 2-Fluoroadenosine146-78-152 % similar Fludarabine21679-14-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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