benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

C11H16O7 — CID 118064590

IUPACbenzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C5H10O5/c7-5-3-1-2-4-6(5)8;6-1-2-3(7)4(8)5(9)10-2/h1-4,7-8H;2-9H,1H2/t;2-,3-,4-,5-/m.1/s1
InChIKeyQNSLQSWAIXMSNH-CAXHYWHXSA-N
MW260.24 g/mol
LogP-1.48
Rot. Bonds1

About benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 118064590) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Namebenzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID118064590
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Namebenzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C5H10O5/c7-5-3-1-2-4-6(5)8;6-1-2-3(7)4(8)5(9)10-2/h1-4,7-8H;2-9H,1H2/t;2-,3-,4-,5-/m.1/s1
InChIKeyQNSLQSWAIXMSNH-CAXHYWHXSA-N
XLogP-1.48
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
2-hydroxybenzaldehyde;(3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 88523924
(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol
CID 69217007
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxyphenoxy)oxane-2,4,5-triol
CID 67748323
(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

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 118064590) is benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is QNSLQSWAIXMSNH-CAXHYWHXSA-N. The full InChI is InChI=1S/C6H6O2.C5H10O5/c7-5-3-1-2-4-6(5)8;6-1-2-3(7)4(8)5(9)10-2/h1-4,7-8H;2-9H,1H2/t;2-,3-,4-,5-/m.1/s1.
What are the key properties of benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 260.24 g/mol, XLogP of -1.48, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 118064590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).