9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine

C10H13N5O5 — CID 88990119

IUPAC9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1OC(COO)CC1OO
InChIInChI=1S/C10H13N5O5/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(20-17)1-5(19-10)2-18-16/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
InChIKeyRFFCOHWGOZBJHU-UHFFFAOYSA-N
MW283.24 g/mol
LogP0.04
Rot. Bonds4

About 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine

9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine (PubChem CID 88990119) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine
PubChem CID88990119
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1OC(COO)CC1OO
InChIInChI=1S/C10H13N5O5/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(20-17)1-5(19-10)2-18-16/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
InChIKeyRFFCOHWGOZBJHU-UHFFFAOYSA-N
XLogP0.04
TPSA137.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine 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

9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
2-(6-aminopurin-9-yl)-5-(phosphorosomethoxymethyl)oxolan-3-ol
CID 175453370
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-3-ol
CID 155062621
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
[2-(6-aminopurin-9-yl)-5-[[hydroxy(imidazol-1-yl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-imidazol-1-ylphosphinic acid
CID 53463706
(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
CID 91227656
2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolane-3,4-diol
CID 59637487
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 173002973
2-[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[(propan-2-ylamino)methyl]oxolan-3-yl]oxypropan-2-yloxidanium
CID 149170503
[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphite
CID 144900448

Frequently Asked Questions

What is the IUPAC name of 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine (CID 88990119) is 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2C1OC(COO)CC1OO.
What is the InChIKey of 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is RFFCOHWGOZBJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(20-17)1-5(19-10)2-18-16/h3-6,10,16-17H,1-2H2,(H2,11,12,13).
What are the key properties of 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine?
9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 283.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 88990119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).