9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one

C10H14N4O5 — CID 11346252

IUPAC9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESO=C1NC=NC2C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-8,10,15-17H,1H2,(H,11,12,18)/t4-,5?,6-,7-,8?,10?/m1/s1
InChIKeyREAFDQSBEQBZSJ-KFJFQIRGSA-N
MW270.25 g/mol
LogP-3.38
Rot. Bonds2

About 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one

9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one (PubChem CID 11346252) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
PubChem CID11346252
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESO=C1NC=NC2C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-8,10,15-17H,1H2,(H,11,12,18)/t4-,5?,6-,7-,8?,10?/m1/s1
InChIKeyREAFDQSBEQBZSJ-KFJFQIRGSA-N
XLogP-3.38
TPSA126.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-3.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one with MolForge

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Related Compounds

2-hexylimino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 136491923
2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 56679233
9-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5,9-dihydro-4H-purin-6-ol
CID 3006934
2-Amino-9-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5,9-dihydro-4H-purin-6-ol
CID 3006944
6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 70693396
6-amino-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 70691294
1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-piperidyl-5,6,7,3a,7a-pentahy dro-5-azabenzimidazol-4-one
CID 3136623
N-(9-(4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-oxo-4,5,6,9-tetrahydro-3H-purin-2-yl)isobutyramide
CID 3247687
6-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 71450887
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6,8-dione
CID 21124671
4,5-Dihydro-5-hydroxy-4-(nitrosooxy)-2'-deoxyguanosine
CID 54270078
5-Methylguanosine
CID 67256867

Frequently Asked Questions

What is the IUPAC name of 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The IUPAC name of 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one (CID 11346252) is 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one.
What is the SMILES notation for 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The canonical SMILES for 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one is O=C1NC=NC2C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The InChIKey is REAFDQSBEQBZSJ-KFJFQIRGSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-8,10,15-17H,1H2,(H,11,12,18)/t4-,5?,6-,7-,8?,10?/m1/s1.
What are the key properties of 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one has a molecular weight of 270.25 g/mol, XLogP of -3.38, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one is sourced from PubChem (CID 11346252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).