(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol

C20H26O6 — CID 10713667

IUPAC(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
SMILESO[C@@H]([C@H](O)[C@H](O)COCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C20H26O6/c21-17(13-25-11-15-7-3-1-4-8-15)19(23)20(24)18(22)14-26-12-16-9-5-2-6-10-16/h1-10,17-24H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKeyLMZLWUYNLQAQHZ-UAFMIMERSA-N
MW362.42 g/mol
LogP0.86
Rot. Bonds11

About (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol

(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol (PubChem CID 10713667) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
PubChem CID10713667
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
SMILESO[C@@H]([C@H](O)[C@H](O)COCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C20H26O6/c21-17(13-25-11-15-7-3-1-4-8-15)19(23)20(24)18(22)14-26-12-16-9-5-2-6-10-16/h1-10,17-24H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKeyLMZLWUYNLQAQHZ-UAFMIMERSA-N
XLogP0.86
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol
CID 154270817
CID 174569187
CID 174569187
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
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(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol (CID 10713667) is (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol is O[C@@H]([C@H](O)[C@H](O)COCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol?
The InChIKey is LMZLWUYNLQAQHZ-UAFMIMERSA-N. The full InChI is InChI=1S/C20H26O6/c21-17(13-25-11-15-7-3-1-4-8-15)19(23)20(24)18(22)14-26-12-16-9-5-2-6-10-16/h1-10,17-24H,11-14H2/t17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol?
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol has a molecular weight of 362.42 g/mol, XLogP of 0.86, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol is sourced from PubChem (CID 10713667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).