1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione

C23H19FN2O8 — CID 70212327

IUPAC1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C23H19FN2O8/c24-14-11-26(22(32)25-20(14)31)21-18(30)23(33,17(29)13-9-5-2-6-10-13)19(34-21)16(28)15(27)12-7-3-1-4-8-12/h1-11,16,18-19,21,28,30,33H,(H,25,31,32)/t16?,18-,19+,21+,23+/m0/s1
InChIKeyHQIIWBXNIFWVBY-LFSFEGQESA-N
MW470.41 g/mol
LogP-0.21
Rot. Bonds6

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

1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 70212327) has the molecular formula C23H19FN2O8 and a molecular weight of 470.41 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID70212327
Molecular FormulaC23H19FN2O8
Molecular Weight470.41 g/mol
Exact Mass470.11
IUPAC Name1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C23H19FN2O8/c24-14-11-26(22(32)25-20(14)31)21-18(30)23(33,17(29)13-9-5-2-6-10-13)19(34-21)16(28)15(27)12-7-3-1-4-8-12/h1-11,16,18-19,21,28,30,33H,(H,25,31,32)/t16?,18-,19+,21+,23+/m0/s1
InChIKeyHQIIWBXNIFWVBY-LFSFEGQESA-N
XLogP-0.21
TPSA158.92 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione (CID 70212327) is 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione is O=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@]1(O)C(=O)c1ccccc1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is HQIIWBXNIFWVBY-LFSFEGQESA-N. The full InChI is InChI=1S/C23H19FN2O8/c24-14-11-26(22(32)25-20(14)31)21-18(30)23(33,17(29)13-9-5-2-6-10-13)19(34-21)16(28)15(27)12-7-3-1-4-8-12/h1-11,16,18-19,21,28,30,33H,(H,25,31,32)/t16?,18-,19+,21+,23+/m0/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 470.41 g/mol, XLogP of -0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-4-benzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 70212327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).