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

C24H21FN2O7 — CID 67248117

IUPAC1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@H](C(O)C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C24H21FN2O7/c1-23(25)21(27-13-12-16(28)26-22(27)32)34-20(18(30)17(29)14-8-4-2-5-9-14)24(23,33)19(31)15-10-6-3-7-11-15/h2-13,18,20-21,30,33H,1H3,(H,26,28,32)/t18?,20-,21-,23-,24-/m1/s1
InChIKeyYNTZRRDNQQGIMH-PJUWNERGSA-N
MW468.44 g/mol
LogP1.02
Rot. Bonds6

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

1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 67248117) has the molecular formula C24H21FN2O7 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID67248117
Molecular FormulaC24H21FN2O7
Molecular Weight468.44 g/mol
Exact Mass468.13
IUPAC Name1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@H](C(O)C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C24H21FN2O7/c1-23(25)21(27-13-12-16(28)26-22(27)32)34-20(18(30)17(29)14-8-4-2-5-9-14)24(23,33)19(31)15-10-6-3-7-11-15/h2-13,18,20-21,30,33H,1H3,(H,26,28,32)/t18?,20-,21-,23-,24-/m1/s1
InChIKeyYNTZRRDNQQGIMH-PJUWNERGSA-N
XLogP1.02
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 67248117) is 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is C[C@@]1(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@H](C(O)C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1.
What is the InChIKey of 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is YNTZRRDNQQGIMH-PJUWNERGSA-N. The full InChI is InChI=1S/C24H21FN2O7/c1-23(25)21(27-13-12-16(28)26-22(27)32)34-20(18(30)17(29)14-8-4-2-5-9-14)24(23,33)19(31)15-10-6-3-7-11-15/h2-13,18,20-21,30,33H,1H3,(H,26,28,32)/t18?,20-,21-,23-,24-/m1/s1.
What are the key properties of 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 468.44 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 67248117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).