(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

C15H23N5O5 — CID 135748230

IUPAC(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
SMILESO=c1[nH]cnc2c1N[C@H](N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23N5O5/c21-6-8-10(22)11(23)14(25-8)20-12-9(13(24)17-7-16-12)18-15(20)19-4-2-1-3-5-19/h7-8,10-11,14-15,18,21-23H,1-6H2,(H,16,17,24)/t8-,10-,11+,14-,15-/m1/s1
InChIKeyMXNSKMKMAWBTHM-UJJBCWTCSA-N
MW353.38 g/mol
LogP-1.79
Rot. Bonds3

About (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

(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 (PubChem CID 135748230) has the molecular formula C15H23N5O5 and a molecular weight of 353.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135748230
Molecular FormulaC15H23N5O5
Molecular Weight353.38 g/mol
Exact Mass353.17
IUPAC Name(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
SMILESO=c1[nH]cnc2c1N[C@H](N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23N5O5/c21-6-8-10(22)11(23)14(25-8)20-12-9(13(24)17-7-16-12)18-15(20)19-4-2-1-3-5-19/h7-8,10-11,14-15,18,21-23H,1-6H2,(H,16,17,24)/t8-,10-,11+,14-,15-/m1/s1
InChIKeyMXNSKMKMAWBTHM-UJJBCWTCSA-N
XLogP-1.79
TPSA134.18 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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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
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one
CID 21126088
9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135885678
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135992491
9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135928013
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;mercury
CID 175730179
copper;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;palladium
CID 136593515
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;ethane
CID 143728569
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135407110
3-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136772740
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663942
8-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 162785253

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=c1[nH]cnc2c1N[C@H](N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (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?
The InChIKey is MXNSKMKMAWBTHM-UJJBCWTCSA-N. The full InChI is InChI=1S/C15H23N5O5/c21-6-8-10(22)11(23)14(25-8)20-12-9(13(24)17-7-16-12)18-15(20)19-4-2-1-3-5-19/h7-8,10-11,14-15,18,21-23H,1-6H2,(H,16,17,24)/t8-,10-,11+,14-,15-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 353.38 g/mol, XLogP of -1.79, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135748230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).