1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone

C14H18O7 — CID 25114974

IUPAC1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
SMILESO=C(C[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O)c1ccc(O)cc1
InChIInChI=1S/C14H18O7/c15-6-11-13(19)12(18)9(14(20)21-11)5-10(17)7-1-3-8(16)4-2-7/h1-4,9,11-16,18-20H,5-6H2/t9-,11-,12-,13+,14?/m1/s1
InChIKeyAZYRBMUYGFEBDX-RSTBIFIBSA-N
MW298.29 g/mol
LogP-0.99
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone

1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone (PubChem CID 25114974) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
PubChem CID25114974
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
SMILESO=C(C[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O)c1ccc(O)cc1
InChIInChI=1S/C14H18O7/c15-6-11-13(19)12(18)9(14(20)21-11)5-10(17)7-1-3-8(16)4-2-7/h1-4,9,11-16,18-20H,5-6H2/t9-,11-,12-,13+,14?/m1/s1
InChIKeyAZYRBMUYGFEBDX-RSTBIFIBSA-N
XLogP-0.99
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone with MolForge

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Related Compounds

1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone
CID 25115192
(3R,4R,5R,6R)-6-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]oxane-2,4,5-triol
CID 25115878
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]oxane-2,4,5-triol
CID 25115877
1-(4-hydroxyphenyl)-2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]ethanone
CID 11992820
CID 159904860
CID 159904860
3-hydroxy-1-(4-hydroxyphenyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one
CID 91485925
1-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-1-one
CID 163046599
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxybenzoate
CID 171123599
3,5-dihydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropanoyl]-2,6-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenolate
CID 129320407
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate
CID 160559346
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone (CID 25114974) is 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone is O=C(C[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
The InChIKey is AZYRBMUYGFEBDX-RSTBIFIBSA-N. The full InChI is InChI=1S/C14H18O7/c15-6-11-13(19)12(18)9(14(20)21-11)5-10(17)7-1-3-8(16)4-2-7/h1-4,9,11-16,18-20H,5-6H2/t9-,11-,12-,13+,14?/m1/s1.
What are the key properties of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone?
1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone has a molecular weight of 298.29 g/mol, XLogP of -0.99, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone is sourced from PubChem (CID 25114974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).