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

C30H23FN2O9 — CID 69304273

IUPAC1-[(2R,3R,4R,5R)-3,4-dibenzoyl-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@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C30H23FN2O9/c31-20-16-33(28(39)32-26(20)38)27-30(41,24(37)19-14-8-3-9-15-19)29(40,23(36)18-12-6-2-7-13-18)25(42-27)22(35)21(34)17-10-4-1-5-11-17/h1-16,22,25,27,35,40-41H,(H,32,38,39)/t22?,25-,27-,29-,30+/m1/s1
InChIKeyKDRQJMVLRQPRTM-BEKSSLAESA-N
MW574.52 g/mol
LogP1.04
Rot. Bonds8

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

1-[(2R,3R,4R,5R)-3,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 69304273) has the molecular formula C30H23FN2O9 and a molecular weight of 574.52 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3,4-dibenzoyl-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)-3,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID69304273
Molecular FormulaC30H23FN2O9
Molecular Weight574.52 g/mol
Exact Mass574.14
IUPAC Name1-[(2R,3R,4R,5R)-3,4-dibenzoyl-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@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C30H23FN2O9/c31-20-16-33(28(39)32-26(20)38)27-30(41,24(37)19-14-8-3-9-15-19)29(40,23(36)18-12-6-2-7-13-18)25(42-27)22(35)21(34)17-10-4-1-5-11-17/h1-16,22,25,27,35,40-41H,(H,32,38,39)/t22?,25-,27-,29-,30+/m1/s1
InChIKeyKDRQJMVLRQPRTM-BEKSSLAESA-N
XLogP1.04
TPSA175.99 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.52
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[(2R,3R,4R,5R)-3,4-dibenzoyl-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)-3,4-dibenzoyl-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)-3,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione (CID 69304273) is 1-[(2R,3R,4R,5R)-3,4-dibenzoyl-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)-3,4-dibenzoyl-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)-3,4-dibenzoyl-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@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is KDRQJMVLRQPRTM-BEKSSLAESA-N. The full InChI is InChI=1S/C30H23FN2O9/c31-20-16-33(28(39)32-26(20)38)27-30(41,24(37)19-14-8-3-9-15-19)29(40,23(36)18-12-6-2-7-13-18)25(42-27)22(35)21(34)17-10-4-1-5-11-17/h1-16,22,25,27,35,40-41H,(H,32,38,39)/t22?,25-,27-,29-,30+/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-3,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 574.52 g/mol, XLogP of 1.04, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3,4-dibenzoyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 69304273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).