2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid

C6H10O5 — CID 131034574

IUPAC2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@@H](O)[C@H](O)O1
InChIInChI=1S/C6H10O5/c7-4-1-3(2-5(8)9)11-6(4)10/h3-4,6-7,10H,1-2H2,(H,8,9)/t3-,4+,6+/m0/s1
InChIKeyNCWQTXXKXZDSBR-MRKVFDINSA-N
MW162.14 g/mol
LogP-1.07
Rot. Bonds2

About 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid

2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid (PubChem CID 131034574) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid
PubChem CID131034574
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@@H](O)[C@H](O)O1
InChIInChI=1S/C6H10O5/c7-4-1-3(2-5(8)9)11-6(4)10/h3-4,6-7,10H,1-2H2,(H,8,9)/t3-,4+,6+/m0/s1
InChIKeyNCWQTXXKXZDSBR-MRKVFDINSA-N
XLogP-1.07
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dihydroxyoxan-2-yl)acetic acid
CID 77213241
2-[(2R,3S,4R)-6-(carboxymethyl)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetic acid
CID 175833212
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
2-(4-amino-6-methyloxan-2-yl)acetic acid
CID 143247678
2-[(2R,4S,5R)-4-iodo-5-phenyloxolan-2-yl]acetic acid
CID 15441068
2-[(2S,4R,6S)-6-methyl-4-(methylamino)oxan-2-yl]acetic acid
CID 143332781
2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]acetic acid
CID 22849977
2-(2,3-dihydrofuran-2-yl)acetic acid
CID 89299467
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 14331766
2-[2,5-bis(carboxymethyl)oxan-4-yl]acetic acid
CID 172729629

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid?
The IUPAC name of 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid (CID 131034574) is 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid is O=C(O)C[C@@H]1C[C@@H](O)[C@H](O)O1.
What is the InChIKey of 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid?
The InChIKey is NCWQTXXKXZDSBR-MRKVFDINSA-N. The full InChI is InChI=1S/C6H10O5/c7-4-1-3(2-5(8)9)11-6(4)10/h3-4,6-7,10H,1-2H2,(H,8,9)/t3-,4+,6+/m0/s1.
What are the key properties of 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid?
2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid has a molecular weight of 162.14 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid is sourced from PubChem (CID 131034574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).