7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one

C23H26O8Si — CID 24938328

IUPAC7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one
SMILESC[Si](C)(C)c1ccc(-c2coc3c(O)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)ccc3c2=O)cc1
InChIInChI=1S/C23H26O8Si/c1-32(2,3)13-6-4-12(5-7-13)15-11-29-22-14(18(15)25)8-9-16(20(22)27)30-23-21(28)19(26)17(10-24)31-23/h4-9,11,17,19,21,23-24,26-28H,10H2,1-3H3/t17-,19-,21+,23+/m1/s1
InChIKeyFUKLAJKVQRVDBA-YZBYQZESSA-N
MW458.54 g/mol
LogP1.53
Rot. Bonds5

About 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one

7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one (PubChem CID 24938328) has the molecular formula C23H26O8Si and a molecular weight of 458.54 g/mol. Its IUPAC name is 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one
PubChem CID24938328
Molecular FormulaC23H26O8Si
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one
SMILESC[Si](C)(C)c1ccc(-c2coc3c(O)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)ccc3c2=O)cc1
InChIInChI=1S/C23H26O8Si/c1-32(2,3)13-6-4-12(5-7-13)15-11-29-22-14(18(15)25)8-9-16(20(22)27)30-23-21(28)19(26)17(10-24)31-23/h4-9,11,17,19,21,23-24,26-28H,10H2,1-3H3/t17-,19-,21+,23+/m1/s1
InChIKeyFUKLAJKVQRVDBA-YZBYQZESSA-N
XLogP1.53
TPSA129.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 10224737
7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(3-hydroxyphenyl)chromen-4-one
CID 24938437
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162923949
8-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CID 162911581
5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
CID 162848184
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxane-2-carboxylic acid
CID 51353298
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one
CID 163149230
3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 124933264
3-(4-hydroxyphenyl)-6-methoxy-7-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 25320437
3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 53349496
7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 131751509
7-methoxy-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 162847847

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one?
The IUPAC name of 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one (CID 24938328) is 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one.
What is the SMILES notation for 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one?
The canonical SMILES for 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one is C[Si](C)(C)c1ccc(-c2coc3c(O)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)ccc3c2=O)cc1.
What is the InChIKey of 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one?
The InChIKey is FUKLAJKVQRVDBA-YZBYQZESSA-N. The full InChI is InChI=1S/C23H26O8Si/c1-32(2,3)13-6-4-12(5-7-13)15-11-29-22-14(18(15)25)8-9-16(20(22)27)30-23-21(28)19(26)17(10-24)31-23/h4-9,11,17,19,21,23-24,26-28H,10H2,1-3H3/t17-,19-,21+,23+/m1/s1.
What are the key properties of 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one?
7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one has a molecular weight of 458.54 g/mol, XLogP of 1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-(4-trimethylsilylphenyl)chromen-4-one is sourced from PubChem (CID 24938328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).