(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C11H16N6O4 — CID 139619795

IUPAC(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(N)nc2c1ncn2[C@H]1C[C@](N)(O)[C@@H](CO)O1
InChIInChI=1S/C11H16N6O4/c1-20-9-7-8(15-10(12)16-9)17(4-14-7)6-2-11(13,19)5(3-18)21-6/h4-6,18-19H,2-3,13H2,1H3,(H2,12,15,16)/t5-,6-,11+/m1/s1
InChIKeyLTQSVUVOVAQDJW-VCGAMNKESA-N
MW296.29 g/mol
LogP-1.66
Rot. Bonds3

About (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 139619795) has the molecular formula C11H16N6O4 and a molecular weight of 296.29 g/mol. Its IUPAC name is (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID139619795
Molecular FormulaC11H16N6O4
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(N)nc2c1ncn2[C@H]1C[C@](N)(O)[C@@H](CO)O1
InChIInChI=1S/C11H16N6O4/c1-20-9-7-8(15-10(12)16-9)17(4-14-7)6-2-11(13,19)5(3-18)21-6/h4-6,18-19H,2-3,13H2,1H3,(H2,12,15,16)/t5-,6-,11+/m1/s1
InChIKeyLTQSVUVOVAQDJW-VCGAMNKESA-N
XLogP-1.66
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
(2R,3R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57276380
(5R,6R,8R,9R)-6-(2-amino-6-methoxypurin-9-yl)-8-(hydroxymethyl)-1,7-dioxaspiro[4.4]nonan-9-ol
CID 67772128
(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 137381020
2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 18968724
9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
(2R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolane-3,3-diol
CID 90085246

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 139619795) is (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is COc1nc(N)nc2c1ncn2[C@H]1C[C@](N)(O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is LTQSVUVOVAQDJW-VCGAMNKESA-N. The full InChI is InChI=1S/C11H16N6O4/c1-20-9-7-8(15-10(12)16-9)17(4-14-7)6-2-11(13,19)5(3-18)21-6/h4-6,18-19H,2-3,13H2,1H3,(H2,12,15,16)/t5-,6-,11+/m1/s1.
What are the key properties of (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 296.29 g/mol, XLogP of -1.66, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 139619795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).