5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol

C10H12N6O3 — CID 20844825

IUPAC5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol
SMILESNc1ncnc2c1ncn2C1CC(O)C(/C=N/O)O1
InChIInChI=1S/C10H12N6O3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(19-7)2-15-18/h2-7,17-18H,1H2,(H2,11,12,13)/b15-2+
InChIKeyMJNPXASWULCQTA-RSSMCMFDSA-N
MW264.25 g/mol
LogP-0.48
Rot. Bonds2

About 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol

5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol (PubChem CID 20844825) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol.

Molecular Properties

Compound Name5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol
PubChem CID20844825
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol
SMILESNc1ncnc2c1ncn2C1CC(O)C(/C=N/O)O1
InChIInChI=1S/C10H12N6O3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(19-7)2-15-18/h2-7,17-18H,1H2,(H2,11,12,13)/b15-2+
InChIKeyMJNPXASWULCQTA-RSSMCMFDSA-N
XLogP-0.48
TPSA131.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477
(3S,5R,7S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 173496028
9-[(4aR,7aS)-2,2-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-6-yl]purin-6-amine
CID 140503398
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 14823978
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(thiophosphorosooxymethyl)oxolan-3-ol
CID 153461808
9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
CID 58159383
(2R,3S,5R)-2-[[[(Z)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolan-3-ol
CID 10958553

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol?
The IUPAC name of 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol (CID 20844825) is 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol.
What is the SMILES notation for 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol?
The canonical SMILES for 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol is Nc1ncnc2c1ncn2C1CC(O)C(/C=N/O)O1.
What is the InChIKey of 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol?
The InChIKey is MJNPXASWULCQTA-RSSMCMFDSA-N. The full InChI is InChI=1S/C10H12N6O3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(19-7)2-15-18/h2-7,17-18H,1H2,(H2,11,12,13)/b15-2+.
What are the key properties of 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol?
5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol has a molecular weight of 264.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol is sourced from PubChem (CID 20844825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).