(2R,3R,5R)-hexane-1,2,3,5,6-pentol

C6H14O5 — CID 6451627

IUPAC(2R,3R,5R)-hexane-1,2,3,5,6-pentol
SMILESOC[C@H](O)C[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O5/c7-2-4(9)1-5(10)6(11)3-8/h4-11H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyRUIACMUVCHMOMF-HSUXUTPPSA-N
MW166.17 g/mol
LogP-2.56
Rot. Bonds5

About (2R,3R,5R)-hexane-1,2,3,5,6-pentol

(2R,3R,5R)-hexane-1,2,3,5,6-pentol (PubChem CID 6451627) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is (2R,3R,5R)-hexane-1,2,3,5,6-pentol.

Molecular Properties

Compound Name(2R,3R,5R)-hexane-1,2,3,5,6-pentol
PubChem CID6451627
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name(2R,3R,5R)-hexane-1,2,3,5,6-pentol
SMILESOC[C@H](O)C[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O5/c7-2-4(9)1-5(10)6(11)3-8/h4-11H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyRUIACMUVCHMOMF-HSUXUTPPSA-N
XLogP-2.56
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
6-methoxyhexane-1,2,4,5-tetrol
CID 123365774
(2R,3S,5R)-2,3,5,6-tetrahydroxyhexanal
CID 87629798
4-aminopentane-1,2-diol
CID 12701364
dodecane-1,2,4,5-tetrol
CID 175058574
(2R,3S,5S)-2,3,5,6-tetrahydroxyhexanoyl bromide
CID 118225431
6-(propylamino)hexane-1,2,4,5-tetrol
CID 123530064
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
butane-1,2,3-triol;hexane-1,2,4-triol
CID 87997487
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-hexane-1,2,3,5,6-pentol?
The IUPAC name of (2R,3R,5R)-hexane-1,2,3,5,6-pentol (CID 6451627) is (2R,3R,5R)-hexane-1,2,3,5,6-pentol.
What is the SMILES notation for (2R,3R,5R)-hexane-1,2,3,5,6-pentol?
The canonical SMILES for (2R,3R,5R)-hexane-1,2,3,5,6-pentol is OC[C@H](O)C[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,5R)-hexane-1,2,3,5,6-pentol?
The InChIKey is RUIACMUVCHMOMF-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H14O5/c7-2-4(9)1-5(10)6(11)3-8/h4-11H,1-3H2/t4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,5R)-hexane-1,2,3,5,6-pentol?
(2R,3R,5R)-hexane-1,2,3,5,6-pentol has a molecular weight of 166.17 g/mol, XLogP of -2.56, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-hexane-1,2,3,5,6-pentol is sourced from PubChem (CID 6451627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).