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

C10H11ClFN5O3 — CID 86627780

IUPAC(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
SMILESNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11ClFN5O3/c11-10-15-7(13)4-8(16-10)17(2-14-4)9-6(19)5(18)3(1-12)20-9/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)/t3-,5-,6-,9-/m1/s1
InChIKeyQUACBOWSAFOLFE-UUOKFMHZSA-N
MW303.68 g/mol
LogP-0.35
Rot. Bonds2

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

(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol (PubChem CID 86627780) has the molecular formula C10H11ClFN5O3 and a molecular weight of 303.68 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
PubChem CID86627780
Molecular FormulaC10H11ClFN5O3
Molecular Weight303.68 g/mol
Exact Mass303.05
IUPAC Name(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
SMILESNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11ClFN5O3/c11-10-15-7(13)4-8(16-10)17(2-14-4)9-6(19)5(18)3(1-12)20-9/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)/t3-,5-,6-,9-/m1/s1
InChIKeyQUACBOWSAFOLFE-UUOKFMHZSA-N
XLogP-0.35
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(2R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
CID 89189091
(2R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
CID 155885669
(2S,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-4-(18F)fluoro-5-(hydroxymethyl)oxolan-3-ol
CID 25241185
(3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 134235464
(2R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 87672546
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 10039594
(2R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 56973707
(2R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(cyclopropyloxymethyl)oxolane-3,4-diol
CID 87823081
4-[(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butanamide
CID 123164013
[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl nitrate
CID 59789638
(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 88559441

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol (CID 86627780) is (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol is Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol?
The InChIKey is QUACBOWSAFOLFE-UUOKFMHZSA-N. The full InChI is InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)4-8(16-10)17(2-14-4)9-6(19)5(18)3(1-12)20-9/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)/t3-,5-,6-,9-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol?
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol has a molecular weight of 303.68 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol is sourced from PubChem (CID 86627780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).