1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione

C25H23FN2O7 — CID 67700723

IUPAC1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn([C@@H]2O[C@H](C(O)C(=O)c3ccccc3)[C@](O)(C(=O)c3ccccc3)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C25H23FN2O7/c1-2-14-13-28(24(33)27-22(14)32)23-19(26)25(34,20(31)16-11-7-4-8-12-16)21(35-23)18(30)17(29)15-9-5-3-6-10-15/h3-13,18-19,21,23,30,34H,2H2,1H3,(H,27,32,33)/t18?,19-,21+,23+,25+/m0/s1
InChIKeyMQVCEIYMMSDIQL-KJMFGUBOSA-N
MW482.46 g/mol
LogP1.19
Rot. Bonds7

About 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione

1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione (PubChem CID 67700723) has the molecular formula C25H23FN2O7 and a molecular weight of 482.46 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
PubChem CID67700723
Molecular FormulaC25H23FN2O7
Molecular Weight482.46 g/mol
Exact Mass482.15
IUPAC Name1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn([C@@H]2O[C@H](C(O)C(=O)c3ccccc3)[C@](O)(C(=O)c3ccccc3)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C25H23FN2O7/c1-2-14-13-28(24(33)27-22(14)32)23-19(26)25(34,20(31)16-11-7-4-8-12-16)21(35-23)18(30)17(29)15-9-5-3-6-10-15/h3-13,18-19,21,23,30,34H,2H2,1H3,(H,27,32,33)/t18?,19-,21+,23+,25+/m0/s1
InChIKeyMQVCEIYMMSDIQL-KJMFGUBOSA-N
XLogP1.19
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-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,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione (CID 67700723) is 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione is CCc1cn([C@@H]2O[C@H](C(O)C(=O)c3ccccc3)[C@](O)(C(=O)c3ccccc3)[C@H]2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is MQVCEIYMMSDIQL-KJMFGUBOSA-N. The full InChI is InChI=1S/C25H23FN2O7/c1-2-14-13-28(24(33)27-22(14)32)23-19(26)25(34,20(31)16-11-7-4-8-12-16)21(35-23)18(30)17(29)15-9-5-3-6-10-15/h3-13,18-19,21,23,30,34H,2H2,1H3,(H,27,32,33)/t18?,19-,21+,23+,25+/m0/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?
1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 482.46 g/mol, XLogP of 1.19, 7 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-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 67700723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).