methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate

C12H16N2O9 — CID 172872890

IUPACmethyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)c1cn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O9/c1-22-11(20)6(16)4-2-14(12(21)13-9(4)19)10-8(18)7(17)5(3-15)23-10/h2,5-8,10,15-18H,3H2,1H3,(H,13,19,21)/t5-,6-,7?,8+,10-/m1/s1
InChIKeyJNVLKTZUCGRYNN-UZGDPXLGSA-N
MW332.27 g/mol
LogP-3.65
Rot. Bonds4

About methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate

methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate (PubChem CID 172872890) has the molecular formula C12H16N2O9 and a molecular weight of 332.27 g/mol. Its IUPAC name is methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate
PubChem CID172872890
Molecular FormulaC12H16N2O9
Molecular Weight332.27 g/mol
Exact Mass332.09
IUPAC Namemethyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)c1cn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O9/c1-22-11(20)6(16)4-2-14(12(21)13-9(4)19)10-8(18)7(17)5(3-15)23-10/h2,5-8,10,15-18H,3H2,1H3,(H,13,19,21)/t5-,6-,7?,8+,10-/m1/s1
InChIKeyJNVLKTZUCGRYNN-UZGDPXLGSA-N
XLogP-3.65
TPSA171.31 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 5-3.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate
CID 90230890
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetic acid;2-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide
CID 175209111
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-fluoroacetic acid
CID 174453681
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodo-1-methoxyethyl)pyrimidine-2,4-dione
CID 46876830
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate
CID 69008927
2-[1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]-2-hydroxyacetic acid
CID 87194780
5-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 7272022
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione
CID 57450617
methyl 3-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
CID 71438737

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate (CID 172872890) is methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate is COC(=O)[C@H](O)c1cn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate?
The InChIKey is JNVLKTZUCGRYNN-UZGDPXLGSA-N. The full InChI is InChI=1S/C12H16N2O9/c1-22-11(20)6(16)4-2-14(12(21)13-9(4)19)10-8(18)7(17)5(3-15)23-10/h2,5-8,10,15-18H,3H2,1H3,(H,13,19,21)/t5-,6-,7?,8+,10-/m1/s1.
What are the key properties of methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate?
methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate has a molecular weight of 332.27 g/mol, XLogP of -3.65, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate is sourced from PubChem (CID 172872890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).