[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol

C28H29Cl3O6 — CID 11146184

IUPAC[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
SMILESCO[C@H]1O[C@H](CO)[C@@H](OCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@H]1OCc1ccc(Cl)cc1
InChIInChI=1S/C28H29Cl3O6/c1-33-28-27(36-17-20-6-12-23(31)13-7-20)26(35-16-19-4-10-22(30)11-5-19)25(24(14-32)37-28)34-15-18-2-8-21(29)9-3-18/h2-13,24-28,32H,14-17H2,1H3/t24-,25-,26+,27-,28+/m1/s1
InChIKeyOQRKBUFXXLSUQY-DFLSAPQXSA-N
MW567.89 g/mol
LogP6.07
Rot. Bonds11

About [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol

[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol (PubChem CID 11146184) has the molecular formula C28H29Cl3O6 and a molecular weight of 567.89 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
PubChem CID11146184
Molecular FormulaC28H29Cl3O6
Molecular Weight567.89 g/mol
Exact Mass566.10
IUPAC Name[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
SMILESCO[C@H]1O[C@H](CO)[C@@H](OCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@H]1OCc1ccc(Cl)cc1
InChIInChI=1S/C28H29Cl3O6/c1-33-28-27(36-17-20-6-12-23(31)13-7-20)26(35-16-19-4-10-22(30)11-5-19)25(24(14-32)37-28)34-15-18-2-8-21(29)9-3-18/h2-13,24-28,32H,14-17H2,1H3/t24-,25-,26+,27-,28+/m1/s1
InChIKeyOQRKBUFXXLSUQY-DFLSAPQXSA-N
XLogP6.07
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.89
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
[(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
[(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
[(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol
CID 11407687
[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
CID 69040178
2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,5-bis(phenylmethoxy)oxan-4-ol
CID 13093593
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,5-bis(phenylmethoxy)oxan-4-ol
CID 163077178
2-(hydroxymethyl)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxane-3,5-diol
CID 134832557
(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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol (CID 11146184) is [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol is CO[C@H]1O[C@H](CO)[C@@H](OCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@H]1OCc1ccc(Cl)cc1.
What is the InChIKey of [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol?
The InChIKey is OQRKBUFXXLSUQY-DFLSAPQXSA-N. The full InChI is InChI=1S/C28H29Cl3O6/c1-33-28-27(36-17-20-6-12-23(31)13-7-20)26(35-16-19-4-10-22(30)11-5-19)25(24(14-32)37-28)34-15-18-2-8-21(29)9-3-18/h2-13,24-28,32H,14-17H2,1H3/t24-,25-,26+,27-,28+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol?
[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol has a molecular weight of 567.89 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol is sourced from PubChem (CID 11146184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).