1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C14H16N2O7 — CID 56622960

IUPAC1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](OCc3ccco3)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C14H16N2O7/c17-6-9-12(22-7-8-2-1-5-21-8)11(19)13(23-9)16-4-3-10(18)15-14(16)20/h1-5,9,11-13,17,19H,6-7H2,(H,15,18,20)/t9-,11-,12-,13-/m1/s1
InChIKeyRYCPLQSDLNBULT-OJAKKHQRSA-N
MW324.29 g/mol
LogP-1.03
Rot. Bonds5

About 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 56622960) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID56622960
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](OCc3ccco3)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C14H16N2O7/c17-6-9-12(22-7-8-2-1-5-21-8)11(19)13(23-9)16-4-3-10(18)15-14(16)20/h1-5,9,11-13,17,19H,6-7H2,(H,15,18,20)/t9-,11-,12-,13-/m1/s1
InChIKeyRYCPLQSDLNBULT-OJAKKHQRSA-N
XLogP-1.03
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 126968626
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 57130865
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[(2R,3R,4S,5R)-4-ethynoxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170171584
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5S)-5-(bromomethyl)-3-hydroxy-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70169760
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 90839020
1-[(2R,3R,4S,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 138470105
CID 70523066
CID 70523066

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 56622960) is 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OCc3ccco3)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is RYCPLQSDLNBULT-OJAKKHQRSA-N. The full InChI is InChI=1S/C14H16N2O7/c17-6-9-12(22-7-8-2-1-5-21-8)11(19)13(23-9)16-4-3-10(18)15-14(16)20/h1-5,9,11-13,17,19H,6-7H2,(H,15,18,20)/t9-,11-,12-,13-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 324.29 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-4-(furan-2-ylmethoxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 56622960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).