(2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C15H15ClN4O5 — CID 23260218

IUPAC(2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCc1ccc(-c2nc(Cl)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)o1
InChIInChI=1S/C15H15ClN4O5/c1-6-2-3-7(24-6)13-18-12(16)9-14(19-13)20(5-17-9)15-11(23)10(22)8(4-21)25-15/h2-3,5,8,10-11,15,21-23H,4H2,1H3/t8-,10-,11-,15-/m1/s1
InChIKeyBLZGNRUSACFYFA-ORXWAGORSA-N
MW366.76 g/mol
LogP0.66
Rot. Bonds3

About (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 23260218) has the molecular formula C15H15ClN4O5 and a molecular weight of 366.76 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID23260218
Molecular FormulaC15H15ClN4O5
Molecular Weight366.76 g/mol
Exact Mass366.07
IUPAC Name(2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCc1ccc(-c2nc(Cl)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)o1
InChIInChI=1S/C15H15ClN4O5/c1-6-2-3-7(24-6)13-18-12(16)9-14(19-13)20(5-17-9)15-11(23)10(22)8(4-21)25-15/h2-3,5,8,10-11,15,21-23H,4H2,1H3/t8-,10-,11-,15-/m1/s1
InChIKeyBLZGNRUSACFYFA-ORXWAGORSA-N
XLogP0.66
TPSA126.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

actinium;(2R,3R,4S,5R)-2-(2,6-dichloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59060553
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
(2R,3R,4S,5R)-2-[2-(dimethylamino)-6-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70539437
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(2R,3R,4S,5R)-2-[2,6-bis(hydroxymethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11623772
(2R,3R,4S,5R)-2-[6-amino-2-(4-methoxyphenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10067935
(2R,3R,4S,5R)-2-[6-amino-2-(2-chlorophenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154121086
2-[6-(dimethylamino)-2-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 162889192
(2R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
CID 155885669
(2R,3R,4S,5R)-2-(2,6-diphenylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11058553
(2R,5R)-2-[2-chloro-6-[2-(4-methylphenyl)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57075638
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 158990241

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 23260218) is (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is Cc1ccc(-c2nc(Cl)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)o1.
What is the InChIKey of (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is BLZGNRUSACFYFA-ORXWAGORSA-N. The full InChI is InChI=1S/C15H15ClN4O5/c1-6-2-3-7(24-6)13-18-12(16)9-14(19-13)20(5-17-9)15-11(23)10(22)8(4-21)25-15/h2-3,5,8,10-11,15,21-23H,4H2,1H3/t8-,10-,11-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 366.76 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[6-chloro-2-(5-methylfuran-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 23260218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).