(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid

C6H10O5 — CID 101368145

IUPAC(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H10O5/c7-2-5-3(8)1-4(11-5)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5+/m0/s1
InChIKeyZUGBKMBBNDZZCN-VAYJURFESA-N
MW162.14 g/mol
LogP-1.42
Rot. Bonds2

About (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid

(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid (PubChem CID 101368145) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
PubChem CID101368145
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H10O5/c7-2-5-3(8)1-4(11-5)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5+/m0/s1
InChIKeyZUGBKMBBNDZZCN-VAYJURFESA-N
XLogP-1.42
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 ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
2,3,4,5,6-pentahydroxy-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]hexan-1-one
CID 174293801
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 131858123
CID 59914550
CID 59914550
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
CID 59996261
CID 59996261
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid (CID 101368145) is (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
The InChIKey is ZUGBKMBBNDZZCN-VAYJURFESA-N. The full InChI is InChI=1S/C6H10O5/c7-2-5-3(8)1-4(11-5)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5+/m0/s1.
What are the key properties of (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid has a molecular weight of 162.14 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 101368145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).