(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol

C93H80O13 — CID 46242655

IUPAC(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1[C@@H](c2c(OCc3ccccc3)cc(OCc3ccccc3)c3c2O[C@H](c2cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](O)C3)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C93H80O13/c94-77-53-76-79(98-57-66-32-14-3-15-33-66)54-82(101-60-69-38-20-6-21-39-69)87(92(76)106-90(77)74-49-84(102-61-70-40-22-7-23-41-70)93(104-63-72-44-26-9-27-45-72)85(50-74)103-62-71-42-24-8-25-43-71)88-86-81(100-59-68-36-18-5-19-37-68)51-75(96-55-64-28-10-1-11-29-64)52-83(86)105-91(89(88)95)73-46-47-78(97-56-65-30-12-2-13-31-65)80(48-73)99-58-67-34-16-4-17-35-67/h1-52,54,77,88-91,94-95H,53,55-63H2/t77-,88+,89-,90+,91+/m0/s1
InChIKeyGFFDMOHJRQOISV-WWMIMGPFSA-N
MW1405.65 g/mol
LogP19.56
Rot. Bonds30

About (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol

(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol (PubChem CID 46242655) has the molecular formula C93H80O13 and a molecular weight of 1405.65 g/mol. Its IUPAC name is (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol
PubChem CID46242655
Molecular FormulaC93H80O13
Molecular Weight1405.65 g/mol
Exact Mass1404.56
IUPAC Name(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1[C@@H](c2c(OCc3ccccc3)cc(OCc3ccccc3)c3c2O[C@H](c2cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](O)C3)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C93H80O13/c94-77-53-76-79(98-57-66-32-14-3-15-33-66)54-82(101-60-69-38-20-6-21-39-69)87(92(76)106-90(77)74-49-84(102-61-70-40-22-7-23-41-70)93(104-63-72-44-26-9-27-45-72)85(50-74)103-62-71-42-24-8-25-43-71)88-86-81(100-59-68-36-18-5-19-37-68)51-75(96-55-64-28-10-1-11-29-64)52-83(86)105-91(89(88)95)73-46-47-78(97-56-65-30-12-2-13-31-65)80(48-73)99-58-67-34-16-4-17-35-67/h1-52,54,77,88-91,94-95H,53,55-63H2/t77-,88+,89-,90+,91+/m0/s1
InChIKeyGFFDMOHJRQOISV-WWMIMGPFSA-N
XLogP19.56
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.65
LogP ≤ 519.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol with MolForge

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Related Compounds

(2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 102464492
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
CID 14275083
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
CID 134951203
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 90393387
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
[(2R,3R,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-(2-ethoxyethoxy)-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(phenylmethoxy)benzoate
CID 164670475
5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
CID 146270563
[(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate
CID 87678495
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-3,5-bis(phenylmethoxy)-3,4-dihydro-2H-chromene;(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 159881200
[(2S,3R)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 4-hydroxycyclohexane-1-carboxylate
CID 166479692

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol (CID 46242655) is (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol is O[C@H]1[C@@H](c2c(OCc3ccccc3)cc(OCc3ccccc3)c3c2O[C@H](c2cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](O)C3)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is GFFDMOHJRQOISV-WWMIMGPFSA-N. The full InChI is InChI=1S/C93H80O13/c94-77-53-76-79(98-57-66-32-14-3-15-33-66)54-82(101-60-69-38-20-6-21-39-69)87(92(76)106-90(77)74-49-84(102-61-70-40-22-7-23-41-70)93(104-63-72-44-26-9-27-45-72)85(50-74)103-62-71-42-24-8-25-43-71)88-86-81(100-59-68-36-18-5-19-37-68)51-75(96-55-64-28-10-1-11-29-64)52-83(86)105-91(89(88)95)73-46-47-78(97-56-65-30-12-2-13-31-65)80(48-73)99-58-67-34-16-4-17-35-67/h1-52,54,77,88-91,94-95H,53,55-63H2/t77-,88+,89-,90+,91+/m0/s1.
What are the key properties of (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol?
(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 1405.65 g/mol, XLogP of 19.56, 30 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 46242655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).