1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione

C12H16N2O6 — CID 170173151

IUPAC1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESC=C[C@]1(CO)O[C@@H](n2cc(OC)c(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C12H16N2O6/c1-3-12(6-15)8(16)4-9(20-12)14-5-7(19-2)10(17)13-11(14)18/h3,5,8-9,15-16H,1,4,6H2,2H3,(H,13,17,18)/t8-,9+,12+/m0/s1
InChIKeyYRPZCUPCXKDXJD-YGOYTEALSA-N
MW284.27 g/mol
LogP-1.26
Rot. Bonds4

About 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione

1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (PubChem CID 170173151) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
PubChem CID170173151
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESC=C[C@]1(CO)O[C@@H](n2cc(OC)c(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C12H16N2O6/c1-3-12(6-15)8(16)4-9(20-12)14-5-7(19-2)10(17)13-11(14)18/h3,5,8-9,15-16H,1,4,6H2,2H3,(H,13,17,18)/t8-,9+,12+/m0/s1
InChIKeyYRPZCUPCXKDXJD-YGOYTEALSA-N
XLogP-1.26
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (CID 170173151) is 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is C=C[C@]1(CO)O[C@@H](n2cc(OC)c(=O)[nH]c2=O)C[C@@H]1O.
What is the InChIKey of 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The InChIKey is YRPZCUPCXKDXJD-YGOYTEALSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-3-12(6-15)8(16)4-9(20-12)14-5-7(19-2)10(17)13-11(14)18/h3,5,8-9,15-16H,1,4,6H2,2H3,(H,13,17,18)/t8-,9+,12+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione has a molecular weight of 284.27 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is sourced from PubChem (CID 170173151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).