1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone

C48H46O7 — CID 70137852

IUPAC1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1OC1O[C@H](COCc2ccc(-c3ccccc3)cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C48H46O7/c1-35(49)42-24-14-15-25-43(42)54-48-47(53-33-38-20-10-4-11-21-38)46(52-32-37-18-8-3-9-19-37)45(51-31-36-16-6-2-7-17-36)44(55-48)34-50-30-39-26-28-41(29-27-39)40-22-12-5-13-23-40/h2-29,44-48H,30-34H2,1H3/t44-,45-,46+,47-,48?/m1/s1
InChIKeyJFQHZLZQLFYMBU-KPCABPGFSA-N
MW734.89 g/mol
LogP9.63
Rot. Bonds17

About 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone

1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone (PubChem CID 70137852) has the molecular formula C48H46O7 and a molecular weight of 734.89 g/mol. Its IUPAC name is 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone
PubChem CID70137852
Molecular FormulaC48H46O7
Molecular Weight734.89 g/mol
Exact Mass734.32
IUPAC Name1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1OC1O[C@H](COCc2ccc(-c3ccccc3)cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C48H46O7/c1-35(49)42-24-14-15-25-43(42)54-48-47(53-33-38-20-10-4-11-21-38)46(52-32-37-18-8-3-9-19-37)45(51-31-36-16-6-2-7-17-36)44(55-48)34-50-30-39-26-28-41(29-27-39)40-22-12-5-13-23-40/h2-29,44-48H,30-34H2,1H3/t44-,45-,46+,47-,48?/m1/s1
InChIKeyJFQHZLZQLFYMBU-KPCABPGFSA-N
XLogP9.63
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.89
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 91180261
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
[3-nitro-4-[(2S,3S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenyl]methanol
CID 71027417
(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane
CID 102451516
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane
CID 11330690
[3-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenyl] acetate
CID 46839327
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
[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 102331110
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508
(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 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone (CID 70137852) is 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone is CC(=O)c1ccccc1OC1O[C@H](COCc2ccc(-c3ccccc3)cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone?
The InChIKey is JFQHZLZQLFYMBU-KPCABPGFSA-N. The full InChI is InChI=1S/C48H46O7/c1-35(49)42-24-14-15-25-43(42)54-48-47(53-33-38-20-10-4-11-21-38)46(52-32-37-18-8-3-9-19-37)45(51-31-36-16-6-2-7-17-36)44(55-48)34-50-30-39-26-28-41(29-27-39)40-22-12-5-13-23-40/h2-29,44-48H,30-34H2,1H3/t44-,45-,46+,47-,48?/m1/s1.
What are the key properties of 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone?
1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone has a molecular weight of 734.89 g/mol, XLogP of 9.63, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone is sourced from PubChem (CID 70137852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).