1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione

C10H12N2O5 — CID 5326138

IUPAC1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@H]3OC[C@@H](O)[C@H]3O2)c(=O)[nH]1
InChIInChI=1S/C10H12N2O5/c13-5-4-16-6-3-8(17-9(5)6)12-2-1-7(14)11-10(12)15/h1-2,5-6,8-9,13H,3-4H2,(H,11,14,15)/t5-,6-,8-,9-/m1/s1
InChIKeyGOTOZTGRMLDRNN-SQEXRHODSA-N
MW240.22 g/mol
LogP-1.42
Rot. Bonds1

About 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione

1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione (PubChem CID 5326138) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
PubChem CID5326138
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@H]3OC[C@@H](O)[C@H]3O2)c(=O)[nH]1
InChIInChI=1S/C10H12N2O5/c13-5-4-16-6-3-8(17-9(5)6)12-2-1-7(14)11-10(12)15/h1-2,5-6,8-9,13H,3-4H2,(H,11,14,15)/t5-,6-,8-,9-/m1/s1
InChIKeyGOTOZTGRMLDRNN-SQEXRHODSA-N
XLogP-1.42
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
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CID 102450103
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(1R,3R,4R,5R)-4-hydroxy-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 11806364
5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
CID 169252384
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 582840
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
1-[(3R,3aR,5R,6R,6aR)-6-azido-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 101446684
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(2R,4R,5S)-4,5-diethynyloxolan-2-yl]pyrimidine-2,4-dione
CID 15216841

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione (CID 5326138) is 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2C[C@H]3OC[C@@H](O)[C@H]3O2)c(=O)[nH]1.
What is the InChIKey of 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione?
The InChIKey is GOTOZTGRMLDRNN-SQEXRHODSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-5-4-16-6-3-8(17-9(5)6)12-2-1-7(14)11-10(12)15/h1-2,5-6,8-9,13H,3-4H2,(H,11,14,15)/t5-,6-,8-,9-/m1/s1.
What are the key properties of 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione?
1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione has a molecular weight of 240.22 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 5326138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).