(5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione

C14H16N2O8 — CID 177486443

IUPAC(5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccco2)C(=O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H16N2O8/c17-5-8-9(18)10(19)11(20)13(24-8)16-12(21)7(15-14(16)22)4-6-2-1-3-23-6/h1-4,8-11,13,17-20H,5H2,(H,15,22)/b7-4+/t8-,9-,10+,11-,13-/m1/s1
InChIKeyVGTVEHCJBVMBII-OYCZIOPRSA-N
MW340.29 g/mol
LogP-2.03
Rot. Bonds3

About (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione

(5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione (PubChem CID 177486443) has the molecular formula C14H16N2O8 and a molecular weight of 340.29 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione
PubChem CID177486443
Molecular FormulaC14H16N2O8
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccco2)C(=O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H16N2O8/c17-5-8-9(18)10(19)11(20)13(24-8)16-12(21)7(15-14(16)22)4-6-2-1-3-23-6/h1-4,8-11,13,17-20H,5H2,(H,15,22)/b7-4+/t8-,9-,10+,11-,13-/m1/s1
InChIKeyVGTVEHCJBVMBII-OYCZIOPRSA-N
XLogP-2.03
TPSA152.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-benzylidene-2-sulfanylidene-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-thiazolidin-4-one
CID 56963724
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-yl)pyrimidine-2,4-dione
CID 90220460
(3E)-3-benzylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-2-one
CID 11372502
1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrolidine-2,5-dione
CID 175151629
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 101262430
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-purin-6-one
CID 137035181
1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-4-one
CID 118450077
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70641093
(5Z)-3-(furan-2-ylmethyl)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 26493283
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 22294337
1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 124526093

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione (CID 177486443) is (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione is O=C1N/C(=C/c2ccco2)C(=O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione?
The InChIKey is VGTVEHCJBVMBII-OYCZIOPRSA-N. The full InChI is InChI=1S/C14H16N2O8/c17-5-8-9(18)10(19)11(20)13(24-8)16-12(21)7(15-14(16)22)4-6-2-1-3-23-6/h1-4,8-11,13,17-20H,5H2,(H,15,22)/b7-4+/t8-,9-,10+,11-,13-/m1/s1.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione?
(5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione has a molecular weight of 340.29 g/mol, XLogP of -2.03, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 177486443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).