(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol

C34H36O6 — CID 174503596

IUPAC(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
SMILESO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C34H36O6/c35-31-30(25-36-21-26-13-5-1-6-14-26)40-34(39-24-29-19-11-4-12-20-29)33(38-23-28-17-9-3-10-18-28)32(31)37-22-27-15-7-2-8-16-27/h1-20,30-35H,21-25H2/t30-,31+,32+,33-,34?/m1/s1
InChIKeyHYZRJGYIUDQFSY-BJPULKCASA-N
MW540.66 g/mol
LogP5.68
Rot. Bonds13

About (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol

(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 174503596) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
PubChem CID174503596
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
SMILESO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C34H36O6/c35-31-30(25-36-21-26-13-5-1-6-14-26)40-34(39-24-29-19-11-4-12-20-29)33(38-23-28-17-9-3-10-18-28)32(31)37-22-27-15-7-2-8-16-27/h1-20,30-35H,21-25H2/t30-,31+,32+,33-,34?/m1/s1
InChIKeyHYZRJGYIUDQFSY-BJPULKCASA-N
XLogP5.68
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(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
(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
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
CID 15431219
(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 138967093
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2S,3R,4S,5R,6R)-5-phenoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 13083854
[(3S,4S,6R)-3-hydroxy-4,5,6-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 46783493

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol (CID 174503596) is (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol is O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is HYZRJGYIUDQFSY-BJPULKCASA-N. The full InChI is InChI=1S/C34H36O6/c35-31-30(25-36-21-26-13-5-1-6-14-26)40-34(39-24-29-19-11-4-12-20-29)33(38-23-28-17-9-3-10-18-28)32(31)37-22-27-15-7-2-8-16-27/h1-20,30-35H,21-25H2/t30-,31+,32+,33-,34?/m1/s1.
What are the key properties of (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?
(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 540.66 g/mol, XLogP of 5.68, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 174503596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).