1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione

C17H20N2O6 — CID 174703770

IUPAC1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione
SMILESC[C@]1(n2cc(OCc3ccccc3)c(=O)[nH]c2=O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C17H20N2O6/c1-17(7-12(21)14(9-20)25-17)19-8-13(15(22)18-16(19)23)24-10-11-5-3-2-4-6-11/h2-6,8,12,14,20-21H,7,9-10H2,1H3,(H,18,22,23)/t12-,14+,17+/m0/s1
InChIKeyZFYCYAGWSGZJFX-DXCKQFNASA-N
MW348.36 g/mol
LogP-0.07
Rot. Bonds5

About 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione (PubChem CID 174703770) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione
PubChem CID174703770
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione
SMILESC[C@]1(n2cc(OCc3ccccc3)c(=O)[nH]c2=O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C17H20N2O6/c1-17(7-12(21)14(9-20)25-17)19-8-13(15(22)18-16(19)23)24-10-11-5-3-2-4-6-11/h2-6,8,12,14,20-21H,7,9-10H2,1H3,(H,18,22,23)/t12-,14+,17+/m0/s1
InChIKeyZFYCYAGWSGZJFX-DXCKQFNASA-N
XLogP-0.07
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione (CID 174703770) is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione is C[C@]1(n2cc(OCc3ccccc3)c(=O)[nH]c2=O)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione?
The InChIKey is ZFYCYAGWSGZJFX-DXCKQFNASA-N. The full InChI is InChI=1S/C17H20N2O6/c1-17(7-12(21)14(9-20)25-17)19-8-13(15(22)18-16(19)23)24-10-11-5-3-2-4-6-11/h2-6,8,12,14,20-21H,7,9-10H2,1H3,(H,18,22,23)/t12-,14+,17+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione has a molecular weight of 348.36 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione is sourced from PubChem (CID 174703770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).