1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C18H22O6 — CID 158276148

IUPAC1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H12O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-10H;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyGJQAEEXUSYJTSR-MSPHXDAXSA-N
MW334.37 g/mol
LogP0.13
Rot. Bonds2

About 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 158276148) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID158276148
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H12O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-10H;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyGJQAEEXUSYJTSR-MSPHXDAXSA-N
XLogP0.13
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

azulen-2-ylmethanol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67648023
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(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
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-(4-phenylphenoxy)oxane-2,4,5-triol
CID 71077860
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 158276148) is 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is GJQAEEXUSYJTSR-MSPHXDAXSA-N. The full InChI is InChI=1S/C12H10.C6H12O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-10H;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1.
What are the key properties of 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 334.37 g/mol, XLogP of 0.13, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 158276148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).