(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde

C7H12O5 — CID 101027471

IUPAC(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde
SMILESO=C[C@H]1O[C@H](CCO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O5/c8-2-1-4-6(10)7(11)5(3-9)12-4/h3-8,10-11H,1-2H2/t4-,5-,6+,7+/m1/s1
InChIKeyOZGIDSIOUMLGIF-JWXFUTCRSA-N
MW176.17 g/mol
LogP-1.94
Rot. Bonds3

About (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde

(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde (PubChem CID 101027471) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde
PubChem CID101027471
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde
SMILESO=C[C@H]1O[C@H](CCO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O5/c8-2-1-4-6(10)7(11)5(3-9)12-4/h3-8,10-11H,1-2H2/t4-,5-,6+,7+/m1/s1
InChIKeyOZGIDSIOUMLGIF-JWXFUTCRSA-N
XLogP-1.94
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
CID 130946810
(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol
CID 11829769
(2S,3R,4S,5S,6R)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 90256488
(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 101100889
2-[(2R,3R)-3-ethenyloxiran-2-yl]ethanol
CID 10057474
6-formyl-3,4,5-trihydroxyoxan-2-olate
CID 23360996
(3aR,5R)-5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 159327740
(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde;(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
CID 88606195
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carbaldehyde
CID 126705387
(2S,3R,5S)-4-[[(2R,4R,5S)-3-amino-5-[[(2R,4S,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
CID 89271415
(2R,3R)-3-propyloxirane-2-carbaldehyde
CID 101237657
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde?
The IUPAC name of (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde (CID 101027471) is (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde.
What is the SMILES notation for (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde?
The canonical SMILES for (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde is O=C[C@H]1O[C@H](CCO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde?
The InChIKey is OZGIDSIOUMLGIF-JWXFUTCRSA-N. The full InChI is InChI=1S/C7H12O5/c8-2-1-4-6(10)7(11)5(3-9)12-4/h3-8,10-11H,1-2H2/t4-,5-,6+,7+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde?
(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde has a molecular weight of 176.17 g/mol, XLogP of -1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 101027471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).