(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol

C15H21N5O5 — CID 91299251

IUPAC(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)OC1CCCC1
InChIInChI=1S/C15H21N5O5/c16-12-10-13(18-6-17-12)20(7-19-10)14-15(23,11(22)9(5-21)24-14)25-8-3-1-2-4-8/h6-9,11,14,21-23H,1-5H2,(H2,16,17,18)/t9-,11-,14-,15+/m1/s1
InChIKeyBCWVMKVJQUEWGY-VGKMCQHDSA-N
MW351.36 g/mol
LogP-0.69
Rot. Bonds4

About (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 91299251) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID91299251
Molecular FormulaC15H21N5O5
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)OC1CCCC1
InChIInChI=1S/C15H21N5O5/c16-12-10-13(18-6-17-12)20(7-19-10)14-15(23,11(22)9(5-21)24-14)25-8-3-1-2-4-8/h6-9,11,14,21-23H,1-5H2,(H2,16,17,18)/t9-,11-,14-,15+/m1/s1
InChIKeyBCWVMKVJQUEWGY-VGKMCQHDSA-N
XLogP-0.69
TPSA148.77 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-trimethylsilyloxolane-3,4-diol
CID 175851034
(2R,3R,5R)-5-(6-aminopurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 11644920
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-3-(3,3-difluoropropa-1,2-dienyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 66556212
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-4-methyloxolan-3-ol
CID 3009859
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 152762007
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-propa-1,2-dienyloxolane-3,4-diol
CID 66556043
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 176613109
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 69298327
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol (CID 91299251) is (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)OC1CCCC1.
What is the InChIKey of (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is BCWVMKVJQUEWGY-VGKMCQHDSA-N. The full InChI is InChI=1S/C15H21N5O5/c16-12-10-13(18-6-17-12)20(7-19-10)14-15(23,11(22)9(5-21)24-14)25-8-3-1-2-4-8/h6-9,11,14,21-23H,1-5H2,(H2,16,17,18)/t9-,11-,14-,15+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 351.36 g/mol, XLogP of -0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-cyclopentyloxy-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 91299251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).