(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol

C10H11ClFN5O4 — CID 87735053

IUPAC(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(O)F)c2n1
InChIInChI=1S/C10H11ClFN5O4/c11-6-4-7(16-9(13)15-6)17(2-14-4)8-10(12,20)5(19)3(1-18)21-8/h2-3,5,8,18-20H,1H2,(H2,13,15,16)/t3-,5-,8-,10+/m1/s1
InChIKeyDNBPHUNBOWZDJO-ZAGIMPAMSA-N
MW319.68 g/mol
LogP-1.03
Rot. Bonds2

About (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 87735053) has the molecular formula C10H11ClFN5O4 and a molecular weight of 319.68 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID87735053
Molecular FormulaC10H11ClFN5O4
Molecular Weight319.68 g/mol
Exact Mass319.05
IUPAC Name(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(O)F)c2n1
InChIInChI=1S/C10H11ClFN5O4/c11-6-4-7(16-9(13)15-6)17(2-14-4)8-10(12,20)5(19)3(1-18)21-8/h2-3,5,8,18-20H,1H2,(H2,13,15,16)/t3-,5-,8-,10+/m1/s1
InChIKeyDNBPHUNBOWZDJO-ZAGIMPAMSA-N
XLogP-1.03
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 126970527
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90799611
(3R,4R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58460922
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
N-[2-amino-9-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]formamide
CID 57039161
(2R,3R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-chloro-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 171572643
(2R,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 118391681
(2R,3R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57276380
(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90445147
(2R,3S,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-4-ethenyl-2-(hydroxymethyl)oxolan-3-ol
CID 166877500
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol (CID 87735053) is (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol is Nc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(O)F)c2n1.
What is the InChIKey of (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is DNBPHUNBOWZDJO-ZAGIMPAMSA-N. The full InChI is InChI=1S/C10H11ClFN5O4/c11-6-4-7(16-9(13)15-6)17(2-14-4)8-10(12,20)5(19)3(1-18)21-8/h2-3,5,8,18-20H,1H2,(H2,13,15,16)/t3-,5-,8-,10+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 319.68 g/mol, XLogP of -1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 87735053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).