2-(4,6-dihydroxyoxan-2-yl)acetic acid

C7H12O5 — CID 77213241

IUPAC2-(4,6-dihydroxyoxan-2-yl)acetic acid
SMILESO=C(O)CC1CC(O)CC(O)O1
InChIInChI=1S/C7H12O5/c8-4-1-5(3-6(9)10)12-7(11)2-4/h4-5,7-8,11H,1-3H2,(H,9,10)
InChIKeyDWVOENPZZZFBQA-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.68
Rot. Bonds2

About 2-(4,6-dihydroxyoxan-2-yl)acetic acid

2-(4,6-dihydroxyoxan-2-yl)acetic acid (PubChem CID 77213241) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(4,6-dihydroxyoxan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dihydroxyoxan-2-yl)acetic acid
PubChem CID77213241
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name2-(4,6-dihydroxyoxan-2-yl)acetic acid
SMILESO=C(O)CC1CC(O)CC(O)O1
InChIInChI=1S/C7H12O5/c8-4-1-5(3-6(9)10)12-7(11)2-4/h4-5,7-8,11H,1-3H2,(H,9,10)
InChIKeyDWVOENPZZZFBQA-UHFFFAOYSA-N
XLogP-0.68
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-(hydroxymethyl)oxane-2,4-diol
CID 147942620
2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid
CID 131034574
2-[(2R,3S,4R)-6-(carboxymethyl)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetic acid
CID 175833212
2-(4-amino-6-methyloxan-2-yl)acetic acid
CID 143247678
2-[(2S,4R,6S)-6-methyl-4-(methylamino)oxan-2-yl]acetic acid
CID 143332781
2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
CID 138975662
2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]acetic acid
CID 22849977
4-ethyloxetan-2-ol
CID 151879220
2-[(2R,4S,5R)-4-iodo-5-phenyloxolan-2-yl]acetic acid
CID 15441068
(4,6-dihydroxyoxan-2-yl)methyl 3,6-dichloro-2-methoxybenzoate;ethane
CID 168895888
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
2-[2,5-bis(carboxymethyl)oxan-4-yl]acetic acid
CID 172729629

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dihydroxyoxan-2-yl)acetic acid?
The IUPAC name of 2-(4,6-dihydroxyoxan-2-yl)acetic acid (CID 77213241) is 2-(4,6-dihydroxyoxan-2-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dihydroxyoxan-2-yl)acetic acid?
The canonical SMILES for 2-(4,6-dihydroxyoxan-2-yl)acetic acid is O=C(O)CC1CC(O)CC(O)O1.
What is the InChIKey of 2-(4,6-dihydroxyoxan-2-yl)acetic acid?
The InChIKey is DWVOENPZZZFBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c8-4-1-5(3-6(9)10)12-7(11)2-4/h4-5,7-8,11H,1-3H2,(H,9,10).
What are the key properties of 2-(4,6-dihydroxyoxan-2-yl)acetic acid?
2-(4,6-dihydroxyoxan-2-yl)acetic acid has a molecular weight of 176.17 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dihydroxyoxan-2-yl)acetic acid is sourced from PubChem (CID 77213241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).