(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol

C8H18O6 — CID 88961080

IUPAC(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
SMILESCOC[C@@H](OC)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O6/c1-13-4-6(14-2)8(12)7(11)5(10)3-9/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyTVLZYYUWDVXSOY-WCTZXXKLSA-N
MW210.23 g/mol
LogP-2.28
Rot. Bonds7

About (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol

(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol (PubChem CID 88961080) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
PubChem CID88961080
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
SMILESCOC[C@@H](OC)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O6/c1-13-4-6(14-2)8(12)7(11)5(10)3-9/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyTVLZYYUWDVXSOY-WCTZXXKLSA-N
XLogP-2.28
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
CID 15689262
(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol
CID 148549371
bis(cyclohexane-1,2,3,4,5,6-hexol);hexane-1,2,3,4,5,6-hexol
CID 159403758
(2R,3S,4R,5R)-1-methoxyhexane-1,2,3,4,5,6-hexol
CID 91131022
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol
CID 141446098
2,3-dihydroxy-4,5-dimethoxypentanoic acid
CID 22664319

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol (CID 88961080) is (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol is COC[C@@H](OC)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol?
The InChIKey is TVLZYYUWDVXSOY-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H18O6/c1-13-4-6(14-2)8(12)7(11)5(10)3-9/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol?
(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol has a molecular weight of 210.23 g/mol, XLogP of -2.28, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol is sourced from PubChem (CID 88961080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).