(2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol

C10H12FN5O3CAS 20227-41-2269.24 g/mol

Open in Covalent MOL file
NNNNOOHHOFNH2
AlcoholAlkyl halideEtherPrimary amine

Properties

Molecular formula
C10H12FN5O3
Molar mass
269.24 g/mol
Exact mass
269.0924 Da
logP
-1.00Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
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
20227-41-2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N
InChIKey
ZGYYPTJWJBEXBC-GQTRHBFLSA-N
InChI
InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1

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Names and synonyms

1 names
  • 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine

Work with (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2'-Fluoro-2'-deoxyadenosine64183-27-3Diastereomer

Similar compounds

Vidarabine5536-17-479 % similar Adenosine58-61-779 % similar Clofarabine123318-82-172 % similar 2′-O-Methyladenosine2140-79-672 % similar 3′-O-Methyladenosine10300-22-869 % similar 2'-O-Moe-adenosine168427-74-564 % similar 3′-Azido-3′-deoxyadenosine58699-62-063 % similar 2'-Deoxy-2'-fluoroguanosine78842-13-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3'-Fluoro-3'-deoxyadenosine75059-22-2

Elsewhere

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