(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol

C48H54O10 — CID 102215626

IUPAC(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H54O10/c1-34-42(52-29-36-20-10-4-11-21-36)41(49)44(54-31-38-24-14-6-15-25-38)48(56-34)58-46-45(55-32-39-26-16-7-17-27-39)43(53-30-37-22-12-5-13-23-37)40(57-47(46)50-2)33-51-28-35-18-8-3-9-19-35/h3-27,34,40-49H,28-33H2,1-2H3/t34-,40+,41+,42+,43-,44-,45-,46+,47+,48-/m0/s1
InChIKeyRUBWCZXCHBKZMP-PSNQDYOKSA-N
MW790.95 g/mol
LogP7.41
Rot. Bonds19

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

(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol (PubChem CID 102215626) has the molecular formula C48H54O10 and a molecular weight of 790.95 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
PubChem CID102215626
Molecular FormulaC48H54O10
Molecular Weight790.95 g/mol
Exact Mass790.37
IUPAC Name(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H54O10/c1-34-42(52-29-36-20-10-4-11-21-36)41(49)44(54-31-38-24-14-6-15-25-38)48(56-34)58-46-45(55-32-39-26-16-7-17-27-39)43(53-30-37-22-12-5-13-23-37)40(57-47(46)50-2)33-51-28-35-18-8-3-9-19-35/h3-27,34,40-49H,28-33H2,1-2H3/t34-,40+,41+,42+,43-,44-,45-,46+,47+,48-/m0/s1
InChIKeyRUBWCZXCHBKZMP-PSNQDYOKSA-N
XLogP7.41
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.95
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(2R,3R,4S,5R,6R)-2-methoxy-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101143250
(2S,3R,4S,5S,6S)-2-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 11182376
(2R,3R,4R,5R,6R)-2-methoxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane-3,4-diol
CID 14058132
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 101071806
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,5S)-2,6-dimethyl-5-phenylmethoxy-4-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 59491334
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6S)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,4-bis[(4-methoxyphenyl)methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 100969790
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(2S,3S,4S,5R,6R)-2-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 102027655

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol (CID 102215626) is (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol is CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The InChIKey is RUBWCZXCHBKZMP-PSNQDYOKSA-N. The full InChI is InChI=1S/C48H54O10/c1-34-42(52-29-36-20-10-4-11-21-36)41(49)44(54-31-38-24-14-6-15-25-38)48(56-34)58-46-45(55-32-39-26-16-7-17-27-39)43(53-30-37-22-12-5-13-23-37)40(57-47(46)50-2)33-51-28-35-18-8-3-9-19-35/h3-27,34,40-49H,28-33H2,1-2H3/t34-,40+,41+,42+,43-,44-,45-,46+,47+,48-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol has a molecular weight of 790.95 g/mol, XLogP of 7.41, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol is sourced from PubChem (CID 102215626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).