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

C25H23FN2O7 — CID 66788425

IUPAC1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@](C)(C(O)C(=O)c3ccccc3)[C@](O)(C(=O)c3ccccc3)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C25H23FN2O7/c1-14-13-28(23(33)27-21(14)32)22-18(26)25(34,19(30)16-11-7-4-8-12-16)24(2,35-22)20(31)17(29)15-9-5-3-6-10-15/h3-13,18,20,22,31,34H,1-2H3,(H,27,32,33)/t18-,20?,22+,24+,25+/m0/s1
InChIKeyXUPSILUOSGUIAP-GXOOBTJCSA-N
MW482.46 g/mol
LogP1.33
Rot. Bonds6

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

1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 66788425) 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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID66788425
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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@](C)(C(O)C(=O)c3ccccc3)[C@](O)(C(=O)c3ccccc3)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C25H23FN2O7/c1-14-13-28(23(33)27-21(14)32)22-18(26)25(34,19(30)16-11-7-4-8-12-16)24(2,35-22)20(31)17(29)15-9-5-3-6-10-15/h3-13,18,20,22,31,34H,1-2H3,(H,27,32,33)/t18-,20?,22+,24+,25+/m0/s1
InChIKeyXUPSILUOSGUIAP-GXOOBTJCSA-N
XLogP1.33
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 51.33
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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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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)-5-methyloxolan-2-yl]-5-methylpyrimidine-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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 66788425) is 1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-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)-5-methyloxolan-2-yl]-5-methylpyrimidine-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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2O[C@](C)(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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is XUPSILUOSGUIAP-GXOOBTJCSA-N. The full InChI is InChI=1S/C25H23FN2O7/c1-14-13-28(23(33)27-21(14)32)22-18(26)25(34,19(30)16-11-7-4-8-12-16)24(2,35-22)20(31)17(29)15-9-5-3-6-10-15/h3-13,18,20,22,31,34H,1-2H3,(H,27,32,33)/t18-,20?,22+,24+,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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 482.46 g/mol, XLogP of 1.33, 6 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)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 66788425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).