(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol

C32H34O6 — CID 3011292

IUPAC(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol
SMILESO[C@H]([C@H](O)[C@@H](COc1ccccc1)OCc1ccccc1)[C@@H](COc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H34O6/c33-31(29(23-35-27-17-9-3-10-18-27)37-21-25-13-5-1-6-14-25)32(34)30(24-36-28-19-11-4-12-20-28)38-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31-,32+/m1/s1
InChIKeyJOUWJRQPBJVSNU-ANLCFORVSA-N
MW514.62 g/mol
LogP5.04
Rot. Bonds15

About (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol

(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol (PubChem CID 3011292) has the molecular formula C32H34O6 and a molecular weight of 514.62 g/mol. Its IUPAC name is (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol
PubChem CID3011292
Molecular FormulaC32H34O6
Molecular Weight514.62 g/mol
Exact Mass514.24
IUPAC Name(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol
SMILESO[C@H]([C@H](O)[C@@H](COc1ccccc1)OCc1ccccc1)[C@@H](COc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H34O6/c33-31(29(23-35-27-17-9-3-10-18-27)37-21-25-13-5-1-6-14-25)32(34)30(24-36-28-19-11-4-12-20-28)38-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31-,32+/m1/s1
InChIKeyJOUWJRQPBJVSNU-ANLCFORVSA-N
XLogP5.04
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2R,3S,4S)-1,2-bis(phenylmethoxy)heptane-3,4-diol
CID 13182124
(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
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
CID 69033542
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
CID 101207998
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
(2R)-1-phenoxybut-3-yn-2-ol
CID 11094952

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol (CID 3011292) is (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol is O[C@H]([C@H](O)[C@@H](COc1ccccc1)OCc1ccccc1)[C@@H](COc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol?
The InChIKey is JOUWJRQPBJVSNU-ANLCFORVSA-N. The full InChI is InChI=1S/C32H34O6/c33-31(29(23-35-27-17-9-3-10-18-27)37-21-25-13-5-1-6-14-25)32(34)30(24-36-28-19-11-4-12-20-28)38-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31-,32+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol?
(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol has a molecular weight of 514.62 g/mol, XLogP of 5.04, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol is sourced from PubChem (CID 3011292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).