(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol

C41H44O6 — CID 122226978

IUPAC(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
SMILESOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C41H44O6/c42-26-38(44-28-34-18-8-2-9-19-34)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-43-27-33-16-6-1-7-17-33/h1-25,38-42H,26-32H2/t38-,39-,40-,41-/m1/s1
InChIKeyXPEAVZSVTDAMDK-GAKQXGIYSA-N
MW632.80 g/mol
LogP7.54
Rot. Bonds20

About (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol

(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol (PubChem CID 122226978) has the molecular formula C41H44O6 and a molecular weight of 632.80 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
PubChem CID122226978
Molecular FormulaC41H44O6
Molecular Weight632.80 g/mol
Exact Mass632.31
IUPAC Name(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
SMILESOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C41H44O6/c42-26-38(44-28-34-18-8-2-9-19-34)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-43-27-33-16-6-1-7-17-33/h1-25,38-42H,26-32H2/t38-,39-,40-,41-/m1/s1
InChIKeyXPEAVZSVTDAMDK-GAKQXGIYSA-N
XLogP7.54
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.80
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol with MolForge

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Related Compounds

(2S,3R,4R,5S,6S,7S,8R,9S,10R,11R)-2,3,4,6,7,8,9,10,11,12-decakis(phenylmethoxy)dodecane-1,5-diol
CID 10653976
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(2-tritioethoxy)hexan-1-ol
CID 158026470
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
CID 177394840

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol?
The IUPAC name of (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol (CID 122226978) is (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol.
What is the SMILES notation for (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol?
The canonical SMILES for (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol is OC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol?
The InChIKey is XPEAVZSVTDAMDK-GAKQXGIYSA-N. The full InChI is InChI=1S/C41H44O6/c42-26-38(44-28-34-18-8-2-9-19-34)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-43-27-33-16-6-1-7-17-33/h1-25,38-42H,26-32H2/t38-,39-,40-,41-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol?
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol has a molecular weight of 632.80 g/mol, XLogP of 7.54, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol is sourced from PubChem (CID 122226978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).