(2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C16H22ClN3O5 — CID 162658700

IUPAC(2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCOc1ncnc2c1c(Cl)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H22ClN3O5/c1-2-3-4-5-24-15-11-9(17)6-20(14(11)18-8-19-15)16-13(23)12(22)10(7-21)25-16/h6,8,10,12-13,16,21-23H,2-5,7H2,1H3/t10-,12-,13-,16-/m1/s1
InChIKeyXZLQYUVEPFIZLN-XNIJJKJLSA-N
MW371.82 g/mol
LogP1.27
Rot. Bonds7

About (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 162658700) has the molecular formula C16H22ClN3O5 and a molecular weight of 371.82 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID162658700
Molecular FormulaC16H22ClN3O5
Molecular Weight371.82 g/mol
Exact Mass371.12
IUPAC Name(2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCOc1ncnc2c1c(Cl)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H22ClN3O5/c1-2-3-4-5-24-15-11-9(17)6-20(14(11)18-8-19-15)16-13(23)12(22)10(7-21)25-16/h6,8,10,12-13,16,21-23H,2-5,7H2,1H3/t10-,12-,13-,16-/m1/s1
InChIKeyXZLQYUVEPFIZLN-XNIJJKJLSA-N
XLogP1.27
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chlorotubercidin
CID 97453
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(5-iodo-4-methoxy-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-3,4-diol
CID 76318240
(2R,3R,4S,5R)-2-(5-ethynyl-4-methoxy-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 76332779
(2R,3R,4S,5R)-2-(5-chloro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102381564
(2R,3R,4S,5R)-2-(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102381565
(2R,3R,4S,5R)-2-(5-chloro-4-propan-2-yloxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155769404
(2R,3R,4S,5R)-2-(5-chloro-4-propoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155769410
(2R,3R,4S,5R)-2-(5-chloro-4-ethoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155769412
(2R,3R,4S,5R)-2-(4-butoxy-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155769414
(2R,3R,4S,5R)-2-(2-amino-5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11675198
(2R,3S,4R,5R)-5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 145990374
(2R,3R,4S,5R)-2-[5-chloro-4-(2-methylpropoxy)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 162648482

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 162658700) is (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is CCCCCOc1ncnc2c1c(Cl)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is XZLQYUVEPFIZLN-XNIJJKJLSA-N. The full InChI is InChI=1S/C16H22ClN3O5/c1-2-3-4-5-24-15-11-9(17)6-20(14(11)18-8-19-15)16-13(23)12(22)10(7-21)25-16/h6,8,10,12-13,16,21-23H,2-5,7H2,1H3/t10-,12-,13-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 371.82 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(5-chloro-4-pentoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 162658700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).