(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol

C6H12O4 — CID 10176209

IUPAC(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@H](O)CC[C@H]1O
InChIInChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyWESBWDZFWNIVRV-KAZBKCHUSA-N
MW148.16 g/mol
LogP-1.78
Rot. Bonds

About (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol

(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol (PubChem CID 10176209) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
PubChem CID10176209
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@H](O)CC[C@H]1O
InChIInChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyWESBWDZFWNIVRV-KAZBKCHUSA-N
XLogP-1.78
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexane-1,2,3,4-tetrol;methanol
CID 70613200
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599
4-methoxycyclohexane-1,2,3-triol
CID 54277163
cis-(2R,3S)-2,3,4-trihydroxycyclohexane-1-carboxylic acid
CID 89269522
(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
CID 118186347
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
CID 57379190
(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride
CID 155819857

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol (CID 10176209) is (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol is O[C@@H]1[C@H](O)[C@H](O)CC[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol?
The InChIKey is WESBWDZFWNIVRV-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1.
What are the key properties of (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol?
(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol has a molecular weight of 148.16 g/mol, XLogP of -1.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 10176209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).