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

C6H13ClO6 — CID 67086676

IUPAC(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
SMILESCl.OCC1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.ClH/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H/t2?,3-,4+,5+,6?;/m1./s1
InChIKeyRZJQLNKYMZMNNH-HDOBAEQNSA-N
MW216.62 g/mol
LogP-2.80
Rot. Bonds1

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

(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride (PubChem CID 67086676) has the molecular formula C6H13ClO6 and a molecular weight of 216.62 g/mol. Its IUPAC name is (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride.

Molecular Properties

Compound Name(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
PubChem CID67086676
Molecular FormulaC6H13ClO6
Molecular Weight216.62 g/mol
Exact Mass216.04
IUPAC Name(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
SMILESCl.OCC1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.ClH/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H/t2?,3-,4+,5+,6?;/m1./s1
InChIKeyRZJQLNKYMZMNNH-HDOBAEQNSA-N
XLogP-2.80
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 5-2.80
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
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(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
(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 (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride?
The IUPAC name of (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride (CID 67086676) is (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride.
What is the SMILES notation for (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride?
The canonical SMILES for (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride is Cl.OCC1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride?
The InChIKey is RZJQLNKYMZMNNH-HDOBAEQNSA-N. The full InChI is InChI=1S/C6H12O6.ClH/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H/t2?,3-,4+,5+,6?;/m1./s1.
What are the key properties of (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride?
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride has a molecular weight of 216.62 g/mol, XLogP of -2.80, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride is sourced from PubChem (CID 67086676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).