[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate

C56H59FO11 — CID 134936823

IUPAC[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](F)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C56H59FO11/c1-40(58)65-49-48(39-60-33-42-22-10-3-11-23-42)67-56(54(64-37-46-30-18-7-19-31-46)52(49)62-35-44-26-14-5-15-27-44)68-50-47(38-59-32-41-20-8-2-9-21-41)66-55(57)53(63-36-45-28-16-6-17-29-45)51(50)61-34-43-24-12-4-13-25-43/h2-31,47-56H,32-39H2,1H3/t47-,48-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1
InChIKeyWVDRNFBWYBENQS-GAWUTDAXSA-N
MW927.08 g/mol
LogP9.50
Rot. Bonds23

About [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate

[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate (PubChem CID 134936823) has the molecular formula C56H59FO11 and a molecular weight of 927.08 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate
PubChem CID134936823
Molecular FormulaC56H59FO11
Molecular Weight927.08 g/mol
Exact Mass926.40
IUPAC Name[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](F)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C56H59FO11/c1-40(58)65-49-48(39-60-33-42-22-10-3-11-23-42)67-56(54(64-37-46-30-18-7-19-31-46)52(49)62-35-44-26-14-5-15-27-44)68-50-47(38-59-32-41-20-8-2-9-21-41)66-55(57)53(63-36-45-28-16-6-17-29-45)51(50)61-34-43-24-12-4-13-25-43/h2-31,47-56H,32-39H2,1H3/t47-,48-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1
InChIKeyWVDRNFBWYBENQS-GAWUTDAXSA-N
XLogP9.50
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.08
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate (CID 134936823) is [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](F)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
The InChIKey is WVDRNFBWYBENQS-GAWUTDAXSA-N. The full InChI is InChI=1S/C56H59FO11/c1-40(58)65-49-48(39-60-33-42-22-10-3-11-23-42)67-56(54(64-37-46-30-18-7-19-31-46)52(49)62-35-44-26-14-5-15-27-44)68-50-47(38-59-32-41-20-8-2-9-21-41)66-55(57)53(63-36-45-28-16-6-17-29-45)51(50)61-34-43-24-12-4-13-25-43/h2-31,47-56H,32-39H2,1H3/t47-,48-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate has a molecular weight of 927.08 g/mol, XLogP of 9.50, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 134936823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).