(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid

C8H14O10 — CID 11572561

IUPAC(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid
SMILESO=C(O)C(=O)O.OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O6.C2H2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2;3-1(4)2(5)6/h2-11H,1H2;(H,3,4)(H,5,6)/t2-,3+,4-,5-,6-;/m1./s1
InChIKeyROWBRVVDKNCPSQ-AXUKCSBQSA-N
MW270.19 g/mol
LogP-4.07
Rot. Bonds1

About (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid

(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid (PubChem CID 11572561) has the molecular formula C8H14O10 and a molecular weight of 270.19 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid
PubChem CID11572561
Molecular FormulaC8H14O10
Molecular Weight270.19 g/mol
Exact Mass270.06
IUPAC Name(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid
SMILESO=C(O)C(=O)O.OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O6.C2H2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2;3-1(4)2(5)6/h2-11H,1H2;(H,3,4)(H,5,6)/t2-,3+,4-,5-,6-;/m1./s1
InChIKeyROWBRVVDKNCPSQ-AXUKCSBQSA-N
XLogP-4.07
TPSA184.98 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.19
LogP ≤ 5-4.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 67893227
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(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(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
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CID 125309563
formaldehyde;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 20591630
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
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid?
The IUPAC name of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid (CID 11572561) is (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid.
What is the SMILES notation for (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid?
The canonical SMILES for (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid is O=C(O)C(=O)O.OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid?
The InChIKey is ROWBRVVDKNCPSQ-AXUKCSBQSA-N. The full InChI is InChI=1S/C6H12O6.C2H2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2;3-1(4)2(5)6/h2-11H,1H2;(H,3,4)(H,5,6)/t2-,3+,4-,5-,6-;/m1./s1.
What are the key properties of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid?
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid has a molecular weight of 270.19 g/mol, XLogP of -4.07, 1 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid is sourced from PubChem (CID 11572561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).