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

C10H13FN4O4 — CID 3006934

IUPAC9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESO=C1NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C10H13FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-8,10,16-17H,1H2,(H,12,13,18)/t4-,5-,6?,7-,8?,10-/m1/s1
InChIKeyBISFNMMQQXAMAR-HMJOIHBISA-N
MW272.24 g/mol
LogP-2.40
Rot. Bonds2

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

9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one (PubChem CID 3006934) has the molecular formula C10H13FN4O4 and a molecular weight of 272.24 g/mol. Its IUPAC name is 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
PubChem CID3006934
Molecular FormulaC10H13FN4O4
Molecular Weight272.24 g/mol
Exact Mass272.09
IUPAC Name9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESO=C1NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C10H13FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-8,10,16-17H,1H2,(H,12,13,18)/t4-,5-,6?,7-,8?,10-/m1/s1
InChIKeyBISFNMMQQXAMAR-HMJOIHBISA-N
XLogP-2.40
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

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
2-Amino-9-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5,9-dihydro-4H-purin-6-ol
CID 3006944
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
Dihydro-8-oxo-2'-deoxyguanosine
CID 122130257
8-Oxo-2'-de-oxyguanosine
CID 129662665
2-amino-9-[(2R,4S,5R)-3-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 57873705
2-amino-9-[(2R,3S,4S,5S)-5-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 58013911
2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 60055953
2-amino-2-fluoro-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydropurin-6-one
CID 67236737
9-[(2R,3S,4S,5R)-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 68214570

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The IUPAC name of 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one (CID 3006934) is 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one.
What is the SMILES notation for 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The canonical SMILES for 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one is O=C1NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The InChIKey is BISFNMMQQXAMAR-HMJOIHBISA-N. The full InChI is InChI=1S/C10H13FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-8,10,16-17H,1H2,(H,12,13,18)/t4-,5-,6?,7-,8?,10-/m1/s1.
What are the key properties of 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one has a molecular weight of 272.24 g/mol, XLogP of -2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one is sourced from PubChem (CID 3006934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).