(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

C8H16O6 — CID 25167508

IUPAC(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESOC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO
InChIInChI=1S/C8H16O6/c9-1-3-4(2-10)6(12)8(14)7(13)5(3)11/h3-14H,1-2H2/t3-,4+,5-,6-,7+,8+/m0/s1
InChIKeyBOKWBQOFOOHFLP-NOVZGDRXSA-N
MW208.21 g/mol
LogP-3.34
Rot. Bonds2

About (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (PubChem CID 25167508) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
PubChem CID25167508
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESOC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO
InChIInChI=1S/C8H16O6/c9-1-3-4(2-10)6(12)8(14)7(13)5(3)11/h3-14H,1-2H2/t3-,4+,5-,6-,7+,8+/m0/s1
InChIKeyBOKWBQOFOOHFLP-NOVZGDRXSA-N
XLogP-3.34
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.21
LogP ≤ 5-3.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol with MolForge

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Related Compounds

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CID 100995414
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(3aR,4R,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-dioxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
CID 129316474
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]methylphosphonic acid
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(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
CID 11412460
(2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol
CID 71058447
(1R,2S,3S,4R,5R,6S)-5-(hydroxymethyl)-6-(pentylamino)cyclohexane-1,2,3,4-tetrol
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (CID 25167508) is (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is OC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO.
What is the InChIKey of (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The InChIKey is BOKWBQOFOOHFLP-NOVZGDRXSA-N. The full InChI is InChI=1S/C8H16O6/c9-1-3-4(2-10)6(12)8(14)7(13)5(3)11/h3-14H,1-2H2/t3-,4+,5-,6-,7+,8+/m0/s1.
What are the key properties of (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol has a molecular weight of 208.21 g/mol, XLogP of -3.34, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 25167508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).