(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H12O6 — CID 6971007

IUPAC(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m0/s1
InChIKeyWQZGKKKJIJFFOK-KGJVWPDLSA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds1

About (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 6971007) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID6971007
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m0/s1
InChIKeyWQZGKKKJIJFFOK-KGJVWPDLSA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 6971007) is (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is WQZGKKKJIJFFOK-KGJVWPDLSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 6971007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).