[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol

C30H36O8 — CID 101181245

IUPAC[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
SMILESCOc1ccc(CO[C@@H]2[C@@H](OCc3ccc(OC)cc3)[C@H](OC)O[C@H](CO)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C30H36O8/c1-32-24-13-9-22(10-14-24)19-36-28-27(35-18-21-7-5-4-6-8-21)26(17-31)38-30(34-3)29(28)37-20-23-11-15-25(33-2)16-12-23/h4-16,26-31H,17-20H2,1-3H3/t26-,27-,28+,29-,30-/m1/s1
InChIKeyYJFJADMGDQSIIE-CMPUJJQDSA-N
MW524.61 g/mol
LogP4.12
Rot. Bonds13

About [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol

[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol (PubChem CID 101181245) has the molecular formula C30H36O8 and a molecular weight of 524.61 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
PubChem CID101181245
Molecular FormulaC30H36O8
Molecular Weight524.61 g/mol
Exact Mass524.24
IUPAC Name[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
SMILESCOc1ccc(CO[C@@H]2[C@@H](OCc3ccc(OC)cc3)[C@H](OC)O[C@H](CO)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C30H36O8/c1-32-24-13-9-22(10-14-24)19-36-28-27(35-18-21-7-5-4-6-8-21)26(17-31)38-30(34-3)29(28)37-20-23-11-15-25(33-2)16-12-23/h4-16,26-31H,17-20H2,1-3H3/t26-,27-,28+,29-,30-/m1/s1
InChIKeyYJFJADMGDQSIIE-CMPUJJQDSA-N
XLogP4.12
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol with MolForge

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Related Compounds

[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4S,5S)-5-[(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 46895944
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
CID 69040178
(2S,3R,4S,5R,6R)-2-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-6-prop-2-ynyloxane
CID 11249104
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-3-[(2S,3S,4R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-4-phenylmethoxyoxolane
CID 46895701
[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
CID 11146184
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol (CID 101181245) is [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol is COc1ccc(CO[C@@H]2[C@@H](OCc3ccc(OC)cc3)[C@H](OC)O[C@H](CO)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol?
The InChIKey is YJFJADMGDQSIIE-CMPUJJQDSA-N. The full InChI is InChI=1S/C30H36O8/c1-32-24-13-9-22(10-14-24)19-36-28-27(35-18-21-7-5-4-6-8-21)26(17-31)38-30(34-3)29(28)37-20-23-11-15-25(33-2)16-12-23/h4-16,26-31H,17-20H2,1-3H3/t26-,27-,28+,29-,30-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol?
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol has a molecular weight of 524.61 g/mol, XLogP of 4.12, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol is sourced from PubChem (CID 101181245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).