8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol

C54H60O7 — CID 71814240

IUPAC8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol
SMILESOCCCCCCCCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C54H60O7/c55-37-23-3-1-2-4-24-38-56-53-52(59-41-45-29-15-7-16-30-45)51(58-40-44-27-13-6-14-28-44)50(57-39-43-25-11-5-12-26-43)49(61-53)42-60-54(46-31-17-8-18-32-46,47-33-19-9-20-34-47)48-35-21-10-22-36-48/h5-22,25-36,49-53,55H,1-4,23-24,37-42H2/t49-,50-,51+,52-,53-/m1/s1
InChIKeyVWLKFFIMHXEEPA-GIPKGRTISA-N
MW821.07 g/mol
LogP10.83
Rot. Bonds24

About 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol

8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol (PubChem CID 71814240) has the molecular formula C54H60O7 and a molecular weight of 821.07 g/mol. Its IUPAC name is 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol.

Molecular Properties

Compound Name8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol
PubChem CID71814240
Molecular FormulaC54H60O7
Molecular Weight821.07 g/mol
Exact Mass820.43
IUPAC Name8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol
SMILESOCCCCCCCCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C54H60O7/c55-37-23-3-1-2-4-24-38-56-53-52(59-41-45-29-15-7-16-30-45)51(58-40-44-27-13-6-14-28-44)50(57-39-43-25-11-5-12-26-43)49(61-53)42-60-54(46-31-17-8-18-32-46,47-33-19-9-20-34-47)48-35-21-10-22-36-48/h5-22,25-36,49-53,55H,1-4,23-24,37-42H2/t49-,50-,51+,52-,53-/m1/s1
InChIKeyVWLKFFIMHXEEPA-GIPKGRTISA-N
XLogP10.83
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.07
LogP ≤ 510.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
[(2S,3R,4R,5R,6S)-2-phenylmethoxy-3,5-diphosphonooxy-6-(trityloxymethyl)oxan-4-yl] dihydrogen phosphate
CID 124748579
(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane
CID 70896291
(2S,3R,4S,5R)-2,3-dimethoxy-4-octadecoxy-5-(trityloxymethyl)oxolane
CID 54497199
(2R,3R,4S,5R)-2,3-dimethoxy-4-octadecoxy-5-(trityloxymethyl)oxolane
CID 13336188
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-(3-phenylpropoxy)oxolane
CID 10951628

Frequently Asked Questions

What is the IUPAC name of 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol?
The IUPAC name of 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol (CID 71814240) is 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol.
What is the SMILES notation for 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol?
The canonical SMILES for 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol is OCCCCCCCCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol?
The InChIKey is VWLKFFIMHXEEPA-GIPKGRTISA-N. The full InChI is InChI=1S/C54H60O7/c55-37-23-3-1-2-4-24-38-56-53-52(59-41-45-29-15-7-16-30-45)51(58-40-44-27-13-6-14-28-44)50(57-39-43-25-11-5-12-26-43)49(61-53)42-60-54(46-31-17-8-18-32-46,47-33-19-9-20-34-47)48-35-21-10-22-36-48/h5-22,25-36,49-53,55H,1-4,23-24,37-42H2/t49-,50-,51+,52-,53-/m1/s1.
What are the key properties of 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol?
8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol has a molecular weight of 821.07 g/mol, XLogP of 10.83, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol is sourced from PubChem (CID 71814240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).