(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol

C40H52O10 — CID 102276288

IUPAC(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)[C@H](O[C@H]2C[C@@H](OCc3ccccc3)[C@H](O[C@H]3C[C@@H](OCc4ccccc4)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
InChIInChI=1S/C40H52O10/c1-26-38(41)32(43-23-29-14-8-5-9-15-29)20-36(46-26)49-40-28(3)48-37(22-34(40)45-25-31-18-12-7-13-19-31)50-39-27(2)47-35(42-4)21-33(39)44-24-30-16-10-6-11-17-30/h5-19,26-28,32-41H,20-25H2,1-4H3/t26-,27-,28-,32-,33-,34-,35+,36+,37+,38-,39-,40-/m1/s1
InChIKeyOXKKFSKVQYEZNE-BCYRCLPFSA-N
MW692.85 g/mol
LogP5.93
Rot. Bonds14

About (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol

(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol (PubChem CID 102276288) has the molecular formula C40H52O10 and a molecular weight of 692.85 g/mol. Its IUPAC name is (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
PubChem CID102276288
Molecular FormulaC40H52O10
Molecular Weight692.85 g/mol
Exact Mass692.36
IUPAC Name(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)[C@H](O[C@H]2C[C@@H](OCc3ccccc3)[C@H](O[C@H]3C[C@@H](OCc4ccccc4)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
InChIInChI=1S/C40H52O10/c1-26-38(41)32(43-23-29-14-8-5-9-15-29)20-36(46-26)49-40-28(3)48-37(22-34(40)45-25-31-18-12-7-13-19-31)50-39-27(2)47-35(42-4)21-33(39)44-24-30-16-10-6-11-17-30/h5-19,26-28,32-41H,20-25H2,1-4H3/t26-,27-,28-,32-,33-,34-,35+,36+,37+,38-,39-,40-/m1/s1
InChIKeyOXKKFSKVQYEZNE-BCYRCLPFSA-N
XLogP5.93
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.85
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-6-methyl-4-phenylmethoxyoxan-2-ol
CID 171126123
(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-ol
CID 162926783
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane
CID 177454375
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol?
The IUPAC name of (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol (CID 102276288) is (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol?
The canonical SMILES for (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol is CO[C@@H]1C[C@@H](OCc2ccccc2)[C@H](O[C@H]2C[C@@H](OCc3ccccc3)[C@H](O[C@H]3C[C@@H](OCc4ccccc4)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1.
What is the InChIKey of (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol?
The InChIKey is OXKKFSKVQYEZNE-BCYRCLPFSA-N. The full InChI is InChI=1S/C40H52O10/c1-26-38(41)32(43-23-29-14-8-5-9-15-29)20-36(46-26)49-40-28(3)48-37(22-34(40)45-25-31-18-12-7-13-19-31)50-39-27(2)47-35(42-4)21-33(39)44-24-30-16-10-6-11-17-30/h5-19,26-28,32-41H,20-25H2,1-4H3/t26-,27-,28-,32-,33-,34-,35+,36+,37+,38-,39-,40-/m1/s1.
What are the key properties of (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol?
(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol has a molecular weight of 692.85 g/mol, XLogP of 5.93, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 102276288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).