(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol

C13H18N8O4 — CID 24766383

IUPAC(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=NCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C13H18N8O4/c14-11-8-12(17-5-16-11)21(6-18-8)13-10(9(23)7(4-22)25-13)24-3-1-2-19-20-15/h5-7,9-10,13,22-23H,1-4H2,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
InChIKeyBKVWHGLBZZSWME-QYVSTXNMSA-N
MW350.34 g/mol
LogP-0.26
Rot. Bonds7

About (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 24766383) has the molecular formula C13H18N8O4 and a molecular weight of 350.34 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID24766383
Molecular FormulaC13H18N8O4
Molecular Weight350.34 g/mol
Exact Mass350.15
IUPAC Name(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=NCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C13H18N8O4/c14-11-8-12(17-5-16-11)21(6-18-8)13-10(9(23)7(4-22)25-13)24-3-1-2-19-20-15/h5-7,9-10,13,22-23H,1-4H2,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
InChIKeyBKVWHGLBZZSWME-QYVSTXNMSA-N
XLogP-0.26
TPSA177.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Related Compounds

(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-azidooxy-2-(hydroxymethyl)oxolan-3-ol
CID 174217937
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(6-azidohexoxy)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 72735280
[(2R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypochlorite
CID 57013856
2-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetaldehyde
CID 91595497
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-prop-2-ynoxyoxolan-3-ol
CID 22885207
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol azide
CID 89464553
(2R,5R)-4-(3-aminopropoxy)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 69356785
[(3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 53481006
[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 133126807
[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 71313042
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol (CID 24766383) is (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol is [N-]=[N+]=NCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is BKVWHGLBZZSWME-QYVSTXNMSA-N. The full InChI is InChI=1S/C13H18N8O4/c14-11-8-12(17-5-16-11)21(6-18-8)13-10(9(23)7(4-22)25-13)24-3-1-2-19-20-15/h5-7,9-10,13,22-23H,1-4H2,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 350.34 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(3-azidopropoxy)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 24766383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).