4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one

C52H46O9 — CID 10581269

IUPAC4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one
SMILESCOc1c2ccoc2c([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C52H46O9/c1-54-46-40-27-28-56-47(40)45(49-44(46)41(53)29-42(60-49)39-25-15-6-16-26-39)50-52(59-33-38-23-13-5-14-24-38)51(58-32-37-21-11-4-12-22-37)48(57-31-36-19-9-3-10-20-36)43(61-50)34-55-30-35-17-7-2-8-18-35/h2-29,43,48,50-52H,30-34H2,1H3/t43-,48-,50+,51+,52+/m1/s1
InChIKeyCIJNJFFOQDCHDX-KNJFJAKGSA-N
MW814.93 g/mol
LogP10.63
Rot. Bonds16

About 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one

4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one (PubChem CID 10581269) has the molecular formula C52H46O9 and a molecular weight of 814.93 g/mol. Its IUPAC name is 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one
PubChem CID10581269
Molecular FormulaC52H46O9
Molecular Weight814.93 g/mol
Exact Mass814.31
IUPAC Name4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one
SMILESCOc1c2ccoc2c([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C52H46O9/c1-54-46-40-27-28-56-47(40)45(49-44(46)41(53)29-42(60-49)39-25-15-6-16-26-39)50-52(59-33-38-23-13-5-14-24-38)51(58-32-37-21-11-4-12-22-37)48(57-31-36-19-9-3-10-20-36)43(61-50)34-55-30-35-17-7-2-8-18-35/h2-29,43,48,50-52H,30-34H2,1H3/t43-,48-,50+,51+,52+/m1/s1
InChIKeyCIJNJFFOQDCHDX-KNJFJAKGSA-N
XLogP10.63
TPSA98.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.93
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one with MolForge

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Related Compounds

[7-methoxy-4-oxo-2-(4-phenylmethoxyphenyl)-6-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]chromen-5-yl] benzoate
CID 71725630
1,3,7-trihydroxy-6-methoxy-4-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]xanthen-9-one
CID 46915997
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2-[1-methoxy-4-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]naphthalen-2-yl]acetic acid
CID 67287387
4,5-dimethoxy-2-[(2S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenol
CID 134832818
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate
CID 16753169
(2S,3S,4R,5R,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59899439
1-[4-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]ethanone
CID 10556883
1-methyl-2-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indole
CID 15726287
2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 74036259
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one?
The IUPAC name of 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one (CID 10581269) is 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one.
What is the SMILES notation for 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one?
The canonical SMILES for 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one is COc1c2ccoc2c([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2oc(-c3ccccc3)cc(=O)c12.
What is the InChIKey of 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one?
The InChIKey is CIJNJFFOQDCHDX-KNJFJAKGSA-N. The full InChI is InChI=1S/C52H46O9/c1-54-46-40-27-28-56-47(40)45(49-44(46)41(53)29-42(60-49)39-25-15-6-16-26-39)50-52(59-33-38-23-13-5-14-24-38)51(58-32-37-21-11-4-12-22-37)48(57-31-36-19-9-3-10-20-36)43(61-50)34-55-30-35-17-7-2-8-18-35/h2-29,43,48,50-52H,30-34H2,1H3/t43-,48-,50+,51+,52+/m1/s1.
What are the key properties of 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one?
4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one has a molecular weight of 814.93 g/mol, XLogP of 10.63, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-phenyl-9-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furo[3,2-g]chromen-5-one is sourced from PubChem (CID 10581269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).