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

C7H14O5 — CID 176819979

IUPAC(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESOCC1C[C@H](O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3?,4-,5+,6?,7+/m0/s1
InChIKeyTVKYRGWJELUGNG-BTWHJZOOSA-N
MW178.18 g/mol
LogP-2.56
Rot. Bonds1

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

(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (PubChem CID 176819979) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
PubChem CID176819979
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESOCC1C[C@H](O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3?,4-,5+,6?,7+/m0/s1
InChIKeyTVKYRGWJELUGNG-BTWHJZOOSA-N
XLogP-2.56
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
CID 40566342
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
CID 7784271
actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
CID 59933789
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (CID 176819979) is (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is OCC1C[C@H](O)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The InChIKey is TVKYRGWJELUGNG-BTWHJZOOSA-N. The full InChI is InChI=1S/C7H14O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3?,4-,5+,6?,7+/m0/s1.
What are the key properties of (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol has a molecular weight of 178.18 g/mol, XLogP of -2.56, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 176819979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).