9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione

C11H12N4O6 — CID 177270318

IUPAC9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C(=O)N=C2C(=O)N=CN=C21
InChIInChI=1S/C11H12N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-8-5(14-11(15)19)9(18)13-3-12-8/h3-4,6-7,10,16-17H,2H2,1H3/t4-,6-,7-,10-/m1/s1
InChIKeyDRZBUPBJSGBDMQ-KQYNXXCUSA-N
MW296.24 g/mol
LogP-2.08
Rot. Bonds3

About 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione

9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione (PubChem CID 177270318) has the molecular formula C11H12N4O6 and a molecular weight of 296.24 g/mol. Its IUPAC name is 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione.

Molecular Properties

Compound Name9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione
PubChem CID177270318
Molecular FormulaC11H12N4O6
Molecular Weight296.24 g/mol
Exact Mass296.08
IUPAC Name9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C(=O)N=C2C(=O)N=CN=C21
InChIInChI=1S/C11H12N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-8-5(14-11(15)19)9(18)13-3-12-8/h3-4,6-7,10,16-17H,2H2,1H3/t4-,6-,7-,10-/m1/s1
InChIKeyDRZBUPBJSGBDMQ-KQYNXXCUSA-N
XLogP-2.08
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione with MolForge

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Related Compounds

9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-iminopurin-8-one
CID 177270562
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6,8-dioxopurin-9-yl)oxolan-2-yl]methyl acetate
CID 177270638
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-iminopurin-8-one
CID 162167240
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 77227669
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one
CID 123889381
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
4-amino-5-chloro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 162660228

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione?
The IUPAC name of 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione (CID 177270318) is 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione.
What is the SMILES notation for 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione?
The canonical SMILES for 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione is CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C(=O)N=C2C(=O)N=CN=C21.
What is the InChIKey of 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione?
The InChIKey is DRZBUPBJSGBDMQ-KQYNXXCUSA-N. The full InChI is InChI=1S/C11H12N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-8-5(14-11(15)19)9(18)13-3-12-8/h3-4,6-7,10,16-17H,2H2,1H3/t4-,6-,7-,10-/m1/s1.
What are the key properties of 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione?
9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione has a molecular weight of 296.24 g/mol, XLogP of -2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purine-6,8-dione is sourced from PubChem (CID 177270318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).