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

C20H26O6 — CID 10893804

IUPAC(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
SMILESOC[C@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](O)CO
InChIInChI=1S/C20H26O6/c21-11-17(23)19(25-13-15-7-3-1-4-8-15)20(18(24)12-22)26-14-16-9-5-2-6-10-16/h1-10,17-24H,11-14H2/t17-,18-,19+,20+/m0/s1
InChIKeyOEISLWQNQRZQJF-VNTMZGSJSA-N
MW362.42 g/mol
LogP0.86
Rot. Bonds11

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

(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol (PubChem CID 10893804) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
PubChem CID10893804
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
SMILESOC[C@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](O)CO
InChIInChI=1S/C20H26O6/c21-11-17(23)19(25-13-15-7-3-1-4-8-15)20(18(24)12-22)26-14-16-9-5-2-6-10-16/h1-10,17-24H,11-14H2/t17-,18-,19+,20+/m0/s1
InChIKeyOEISLWQNQRZQJF-VNTMZGSJSA-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

(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal
CID 87262078
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
CID 69033542
diethyl [(2S,3R,4R,5R)-2,5,6-trihydroxy-3,4-bis(phenylmethoxy)hexyl] phosphate
CID 70348497
2,4,5,6-tetrahydroxy-3-phenylmethoxyhexanal
CID 561693
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2R,3S,4R)-5,5-bis(ethylsulfanyloxy)-3-phenylmethoxypentane-1,2,4-triol
CID 69403057
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
2-methyl-4-phenylmethoxyhexane-1,3,5-triol
CID 123316682

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol?
The IUPAC name of (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol (CID 10893804) is (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol.
What is the SMILES notation for (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol?
The canonical SMILES for (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol is OC[C@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol?
The InChIKey is OEISLWQNQRZQJF-VNTMZGSJSA-N. The full InChI is InChI=1S/C20H26O6/c21-11-17(23)19(25-13-15-7-3-1-4-8-15)20(18(24)12-22)26-14-16-9-5-2-6-10-16/h1-10,17-24H,11-14H2/t17-,18-,19+,20+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol?
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-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 (2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol is sourced from PubChem (CID 10893804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).