[(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

C55H60O11 — CID 163470543

IUPAC[(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
SMILESCO[C@H]1OC(CO[C@H]2OC(CO)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C55H60O11/c1-57-54-52(62-37-44-28-16-6-17-29-44)51(61-36-43-26-14-5-15-27-43)49(59-34-41-22-10-3-11-23-41)47(66-54)39-64-55-53(63-38-45-30-18-7-19-31-45)50(60-35-42-24-12-4-13-25-42)48(46(32-56)65-55)58-33-40-20-8-2-9-21-40/h2-31,46-56H,32-39H2,1H3/t46?,47?,48-,49-,50?,51?,52?,53?,54+,55+/m1/s1
InChIKeyBWEYUPJLUVTHLY-AKQRBLQUSA-N
MW897.07 g/mol
LogP8.60
Rot. Bonds23

About [(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

[(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 (PubChem CID 163470543) has the molecular formula C55H60O11 and a molecular weight of 897.07 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID163470543
Molecular FormulaC55H60O11
Molecular Weight897.07 g/mol
Exact Mass896.41
IUPAC Name[(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
SMILESCO[C@H]1OC(CO[C@H]2OC(CO)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C55H60O11/c1-57-54-52(62-37-44-28-16-6-17-29-44)51(61-36-43-26-14-5-15-27-43)49(59-34-41-22-10-3-11-23-41)47(66-54)39-64-55-53(63-38-45-30-18-7-19-31-45)50(60-35-42-24-12-4-13-25-42)48(46(32-56)65-55)58-33-40-20-8-2-9-21-40/h2-31,46-56H,32-39H2,1H3/t46?,47?,48-,49-,50?,51?,52?,53?,54+,55+/m1/s1
InChIKeyBWEYUPJLUVTHLY-AKQRBLQUSA-N
XLogP8.60
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.07
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [(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 with MolForge

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Launch Full Analysis

Related Compounds

[(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
2-(hydroxymethyl)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxane-3,5-diol
CID 134832557
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
[(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,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,5-bis(phenylmethoxy)oxan-4-ol
CID 13093593

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CO[C@H]1OC(CO[C@H]2OC(CO)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [(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?
The InChIKey is BWEYUPJLUVTHLY-AKQRBLQUSA-N. The full InChI is InChI=1S/C55H60O11/c1-57-54-52(62-37-44-28-16-6-17-29-44)51(61-36-43-26-14-5-15-27-43)49(59-34-41-22-10-3-11-23-41)47(66-54)39-64-55-53(63-38-45-30-18-7-19-31-45)50(60-35-42-24-12-4-13-25-42)48(46(32-56)65-55)58-33-40-20-8-2-9-21-40/h2-31,46-56H,32-39H2,1H3/t46?,47?,48-,49-,50?,51?,52?,53?,54+,55+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 897.07 g/mol, XLogP of 8.60, 23 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 163470543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).