2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid

C11H14N2O8 — CID 57147365

IUPAC2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
SMILESO=C(O)C(O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O8/c14-3-6-5(15)1-7(21-6)13-2-4(8(16)10(18)19)9(17)12-11(13)20/h2,5-8,14-16H,1,3H2,(H,18,19)(H,12,17,20)/t5?,6-,7-,8?/m0/s1
InChIKeyBUKPKWUOTIJROS-BWWPFHEWSA-N
MW302.24 g/mol
LogP-2.70
Rot. Bonds4

About 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid

2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid (PubChem CID 57147365) has the molecular formula C11H14N2O8 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
PubChem CID57147365
Molecular FormulaC11H14N2O8
Molecular Weight302.24 g/mol
Exact Mass302.08
IUPAC Name2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
SMILESO=C(O)C(O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O8/c14-3-6-5(15)1-7(21-6)13-2-4(8(16)10(18)19)9(17)12-11(13)20/h2,5-8,14-16H,1,3H2,(H,18,19)(H,12,17,20)/t5?,6-,7-,8?/m0/s1
InChIKeyBUKPKWUOTIJROS-BWWPFHEWSA-N
XLogP-2.70
TPSA162.08 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-chloro-1-hydroxyethyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57121645
5-(1-aminoethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydroiodide
CID 90663664
5-(1-bromo-2-fluoro-2-iodoethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 5271699
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
5-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70974098
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
5-ethenyl-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 89341494
5-(2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22211374
5-[(1R)-1-azido-2-bromoethyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121487125
3-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoic acid
CID 91043014
[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]boronic acid
CID 57268431

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid (CID 57147365) is 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid is O=C(O)C(O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid?
The InChIKey is BUKPKWUOTIJROS-BWWPFHEWSA-N. The full InChI is InChI=1S/C11H14N2O8/c14-3-6-5(15)1-7(21-6)13-2-4(8(16)10(18)19)9(17)12-11(13)20/h2,5-8,14-16H,1,3H2,(H,18,19)(H,12,17,20)/t5?,6-,7-,8?/m0/s1.
What are the key properties of 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid?
2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid has a molecular weight of 302.24 g/mol, XLogP of -2.70, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 57147365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).