(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol

C34H36O7 — CID 138967093

IUPAC(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
SMILESCOc1ccc(O[C@H]2OC(COCc3ccccc3)[C@@H](O)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-23-27-15-9-4-10-16-27)32(38-22-26-13-7-3-8-14-26)31(35)30(41-34)24-37-21-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3/t30?,31-,32?,33?,34+/m1/s1
InChIKeyVHXCUPOCGKUOOO-QQZOYXNKSA-N
MW556.66 g/mol
LogP5.55
Rot. Bonds13

About (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol

(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 138967093) has the molecular formula C34H36O7 and a molecular weight of 556.66 g/mol. Its IUPAC name is (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
PubChem CID138967093
Molecular FormulaC34H36O7
Molecular Weight556.66 g/mol
Exact Mass556.25
IUPAC Name(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
SMILESCOc1ccc(O[C@H]2OC(COCc3ccccc3)[C@@H](O)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-23-27-15-9-4-10-16-27)32(38-22-26-13-7-3-8-14-26)31(35)30(41-34)24-37-21-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3/t30?,31-,32?,33?,34+/m1/s1
InChIKeyVHXCUPOCGKUOOO-QQZOYXNKSA-N
XLogP5.55
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol 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

(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10769142
(2R,3S,4S,5R,6S)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
CID 10557933
(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 174503596
(2S,3R,4S,5S,6R)-2-(4-methoxyphenoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane-3,5-diol
CID 10949753
6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 59863611
(2S,3R,4R,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-4-carbaldehyde
CID 10555028
4-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenol
CID 134277169
(3aS,4R,6R,7R,7aS)-6-(4-methoxyphenoxy)-2,2-dimethyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 126970029
benzyl N-[2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxan-2-yl]oxyethyl]carbamate
CID 102456608
(2R,3R,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 67823537
[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)-4-phenylmethoxyoxan-3-yl] acetate
CID 15409218
(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol
CID 135343842

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol (CID 138967093) is (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol is COc1ccc(O[C@H]2OC(COCc3ccccc3)[C@@H](O)C(OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is VHXCUPOCGKUOOO-QQZOYXNKSA-N. The full InChI is InChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-23-27-15-9-4-10-16-27)32(38-22-26-13-7-3-8-14-26)31(35)30(41-34)24-37-21-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3/t30?,31-,32?,33?,34+/m1/s1.
What are the key properties of (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 556.66 g/mol, XLogP of 5.55, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 138967093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).