(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol

C34H38O6 — CID 15673926

IUPAC(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
SMILESO[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C34H38O6/c35-31(25-37-21-27-13-5-1-6-14-27)33(39-23-29-17-9-3-10-18-29)34(40-24-30-19-11-4-12-20-30)32(36)26-38-22-28-15-7-2-8-16-28/h1-20,31-36H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyWLDLDYZGJAAOJD-YFRBGRBWSA-N
MW542.67 g/mol
LogP5.31
Rot. Bonds17

About (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol (PubChem CID 15673926) has the molecular formula C34H38O6 and a molecular weight of 542.67 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
PubChem CID15673926
Molecular FormulaC34H38O6
Molecular Weight542.67 g/mol
Exact Mass542.27
IUPAC Name(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
SMILESO[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C34H38O6/c35-31(25-37-21-27-13-5-1-6-14-27)33(39-23-29-17-9-3-10-18-29)34(40-24-30-19-11-4-12-20-30)32(36)26-38-22-28-15-7-2-8-16-28/h1-20,31-36H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyWLDLDYZGJAAOJD-YFRBGRBWSA-N
XLogP5.31
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.67
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
CID 10984659
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S,3S,4R,5R)-1-(1,3-dithian-2-yl)-2,3,4,6-tetrakis(phenylmethoxy)hexane-1,5-diol
CID 18637750
(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 146406666
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135765

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol?
The IUPAC name of (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol (CID 15673926) is (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol.
What is the SMILES notation for (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol?
The canonical SMILES for (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol is O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol?
The InChIKey is WLDLDYZGJAAOJD-YFRBGRBWSA-N. The full InChI is InChI=1S/C34H38O6/c35-31(25-37-21-27-13-5-1-6-14-27)33(39-23-29-17-9-3-10-18-29)34(40-24-30-19-11-4-12-20-30)32(36)26-38-22-28-15-7-2-8-16-28/h1-20,31-36H,21-26H2/t31-,32-,33-,34-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol?
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol has a molecular weight of 542.67 g/mol, XLogP of 5.31, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol is sourced from PubChem (CID 15673926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).