1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione

C16H19NO6 — CID 22294337

IUPAC1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O
InChIInChI=1S/C16H19NO6/c1-16(9-5-3-2-4-6-9)7-11(19)17(15(16)22)14-13(21)12(20)10(8-18)23-14/h2-6,10,12-14,18,20-21H,7-8H2,1H3/t10-,12-,13-,14-,16?/m1/s1
InChIKeyJLTFOHYHWYBFNS-BTVNHDEBSA-N
MW321.33 g/mol
LogP-0.86
Rot. Bonds3

About 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 22294337) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID22294337
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O
InChIInChI=1S/C16H19NO6/c1-16(9-5-3-2-4-6-9)7-11(19)17(15(16)22)14-13(21)12(20)10(8-18)23-14/h2-6,10,12-14,18,20-21H,7-8H2,1H3/t10-,12-,13-,14-,16?/m1/s1
InChIKeyJLTFOHYHWYBFNS-BTVNHDEBSA-N
XLogP-0.86
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrolidine-2,5-dione
CID 175151629
(3E)-3-benzylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-2-one
CID 11372502
1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-4-one
CID 118450077
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxyimino-5-methyl-1,3,5-triazinan-2-one
CID 154045048
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
(2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one
CID 56655895
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]piperazine-2,5-dione
CID 5273526
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazolidin-2-one
CID 46876305
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
1-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 171699340
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-phenylpyridin-2-one
CID 71463260
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 122130033

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 22294337) is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is JLTFOHYHWYBFNS-BTVNHDEBSA-N. The full InChI is InChI=1S/C16H19NO6/c1-16(9-5-3-2-4-6-9)7-11(19)17(15(16)22)14-13(21)12(20)10(8-18)23-14/h2-6,10,12-14,18,20-21H,7-8H2,1H3/t10-,12-,13-,14-,16?/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 321.33 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 22294337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).