[(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate

C15H14O7 — CID 54742421

IUPAC[(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC[C@@H](O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C15H14O7/c16-10(14-12(18)13(19)15(20)22-14)8-21-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,14,16,18-19H,8H2/b7-6+/t10-,14?/m1/s1
InChIKeyUWHDHHFRIPSZIP-DHUBIWMWSA-N
MW306.27 g/mol
LogP0.86
Rot. Bonds5

About [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate

[(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate (PubChem CID 54742421) has the molecular formula C15H14O7 and a molecular weight of 306.27 g/mol. Its IUPAC name is [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate
PubChem CID54742421
Molecular FormulaC15H14O7
Molecular Weight306.27 g/mol
Exact Mass306.07
IUPAC Name[(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC[C@@H](O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C15H14O7/c16-10(14-12(18)13(19)15(20)22-14)8-21-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,14,16,18-19H,8H2/b7-6+/t10-,14?/m1/s1
InChIKeyUWHDHHFRIPSZIP-DHUBIWMWSA-N
XLogP0.86
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 66645191
[(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 4-aminobenzoate
CID 67679607
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] propanoate
CID 71656699
bis[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] dodecanedioate
CID 54750751
(2-hydroxy-3-oxo-3-phenylpropyl) (E)-3-phenylprop-2-enoate
CID 11197215
[(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54744132
2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 54717306
[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
CID 138534410
methyl 2-amino-3-(3-phenylprop-2-enoyloxy)propanoate
CID 54051865
[2-acetyloxy-3-[(E)-3-phenylprop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate
CID 71619029
amino 3-phenylprop-2-enoate
CID 67189797
8-O-[(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 1-O-methyl octanedioate
CID 177394903

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate (CID 54742421) is [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OC[C@@H](O)C1OC(=O)C(O)=C1O.
What is the InChIKey of [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is UWHDHHFRIPSZIP-DHUBIWMWSA-N. The full InChI is InChI=1S/C15H14O7/c16-10(14-12(18)13(19)15(20)22-14)8-21-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,14,16,18-19H,8H2/b7-6+/t10-,14?/m1/s1.
What are the key properties of [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate?
[(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 306.27 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 54742421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).