2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid

C8H14O8 — CID 22880301

IUPAC2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1O
InChIInChI=1S/C8H14O8/c9-1-3-5(12)7(15-2-4(10)11)6(13)8(14)16-3/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5+,6-,7+,8?/m1/s1
InChIKeyQYSWLBUOKFRROU-XLBMPYLXSA-N
MW238.19 g/mol
LogP-3.11
Rot. Bonds4

About 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid

2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid (PubChem CID 22880301) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
PubChem CID22880301
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Name2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1O
InChIInChI=1S/C8H14O8/c9-1-3-5(12)7(15-2-4(10)11)6(13)8(14)16-3/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5+,6-,7+,8?/m1/s1
InChIKeyQYSWLBUOKFRROU-XLBMPYLXSA-N
XLogP-3.11
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-3.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
CID 171369915
2-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]butyl]oxan-4-yl]oxyacetic acid
CID 10320135
2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 140878022
2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 100999891
2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyacetic acid
CID 118668914
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
2-[(2S,5S)-2-[(3S,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
CID 70870592

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
The IUPAC name of 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid (CID 22880301) is 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
The canonical SMILES for 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid is O=C(O)CO[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1O.
What is the InChIKey of 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
The InChIKey is QYSWLBUOKFRROU-XLBMPYLXSA-N. The full InChI is InChI=1S/C8H14O8/c9-1-3-5(12)7(15-2-4(10)11)6(13)8(14)16-3/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5+,6-,7+,8?/m1/s1.
What are the key properties of 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid has a molecular weight of 238.19 g/mol, XLogP of -3.11, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid is sourced from PubChem (CID 22880301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).