5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione

C26H25FN2O7 — CID 18634802

IUPAC5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione
SMILESCC(=O)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)n(C(=O)c3ccc(C)cc3)c2=O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C26H25FN2O7/c1-15-8-10-18(11-9-15)24(32)29-25(33)19(27)13-28(26(29)34)21-12-20(23(36-21)22(31)16(2)30)35-14-17-6-4-3-5-7-17/h3-11,13,20-23,31H,12,14H2,1-2H3/t20-,21+,22?,23-/m0/s1
InChIKeyAAIPJADXKMCLKZ-KORDQABASA-N
MW496.49 g/mol
LogP1.97
Rot. Bonds7

About 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione

5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione (PubChem CID 18634802) has the molecular formula C26H25FN2O7 and a molecular weight of 496.49 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione
PubChem CID18634802
Molecular FormulaC26H25FN2O7
Molecular Weight496.49 g/mol
Exact Mass496.16
IUPAC Name5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione
SMILESCC(=O)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)n(C(=O)c3ccc(C)cc3)c2=O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C26H25FN2O7/c1-15-8-10-18(11-9-15)24(32)29-25(33)19(27)13-28(26(29)34)21-12-20(23(36-21)22(31)16(2)30)35-14-17-6-4-3-5-7-17/h3-11,13,20-23,31H,12,14H2,1-2H3/t20-,21+,22?,23-/m0/s1
InChIKeyAAIPJADXKMCLKZ-KORDQABASA-N
XLogP1.97
TPSA116.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione (CID 18634802) is 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione is CC(=O)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)n(C(=O)c3ccc(C)cc3)c2=O)C[C@@H]1OCc1ccccc1.
What is the InChIKey of 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione?
The InChIKey is AAIPJADXKMCLKZ-KORDQABASA-N. The full InChI is InChI=1S/C26H25FN2O7/c1-15-8-10-18(11-9-15)24(32)29-25(33)19(27)13-28(26(29)34)21-12-20(23(36-21)22(31)16(2)30)35-14-17-6-4-3-5-7-17/h3-11,13,20-23,31H,12,14H2,1-2H3/t20-,21+,22?,23-/m0/s1.
What are the key properties of 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione?
5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione has a molecular weight of 496.49 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,4S,5R)-5-(1-hydroxy-2-oxopropyl)-4-phenylmethoxyoxolan-2-yl]-3-(4-methylbenzoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18634802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).