3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one

C10H14N4O5 — CID 21126088

IUPAC3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one
SMILESO=C1NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c21
InChIInChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-9(18)5-8(14)12-2-11-5/h2,4,6-7,10,15-17H,1,3H2,(H,11,12)(H,13,18)/t4-,6-,7-,10?/m1/s1
InChIKeyTURUQTZVAJBFKW-VTHZCTBJSA-N
MW270.25 g/mol
LogP-2.64
Rot. Bonds2

About 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one

3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one (PubChem CID 21126088) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one
PubChem CID21126088
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one
SMILESO=C1NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c21
InChIInChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-9(18)5-8(14)12-2-11-5/h2,4,6-7,10,15-17H,1,3H2,(H,11,12)(H,13,18)/t4-,6-,7-,10?/m1/s1
InChIKeyTURUQTZVAJBFKW-VTHZCTBJSA-N
XLogP-2.64
TPSA130.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one
CID 135764626
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazolidin-2-one
CID 46876305
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-1H-1,3-diazepin-2-one
CID 46876343
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 59649572
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]piperazine-2,5-dione
CID 5273526
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70641093
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-1,2,4-triazol-3-one
CID 135813144
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4,5-trione
CID 98575508
(8R)-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-piperidin-1-yl-7,8-dihydro-1H-purin-6-one
CID 135748230
9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-7,8-dihydro-1H-purine-2-sulfonic acid
CID 136609748
3-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,6,7-tetrahydroimidazo[4,5-g]phthalazine-5,8-dione
CID 142256539
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135992491

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one?
The IUPAC name of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one (CID 21126088) is 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one.
What is the SMILES notation for 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one?
The canonical SMILES for 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one is O=C1NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c21.
What is the InChIKey of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one?
The InChIKey is TURUQTZVAJBFKW-VTHZCTBJSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-9(18)5-8(14)12-2-11-5/h2,4,6-7,10,15-17H,1,3H2,(H,11,12)(H,13,18)/t4-,6-,7-,10?/m1/s1.
What are the key properties of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one?
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one has a molecular weight of 270.25 g/mol, XLogP of -2.64, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one is sourced from PubChem (CID 21126088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).