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

C6H10O5 — CID 130946810

IUPAC(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
SMILESO=CC1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-3-5(9)6(10)4(2-8)11-3/h1,3-6,8-10H,2H2/t3?,4-,5-,6-/m1/s1
InChIKeyLKAPTZKZHMOIRE-YMFWUOAHSA-N
MW162.14 g/mol
LogP-2.33
Rot. Bonds2

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

(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde (PubChem CID 130946810) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
PubChem CID130946810
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
SMILESO=CC1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-3-5(9)6(10)4(2-8)11-3/h1,3-6,8-10H,2H2/t3?,4-,5-,6-/m1/s1
InChIKeyLKAPTZKZHMOIRE-YMFWUOAHSA-N
XLogP-2.33
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.33
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

(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolane-2-carbaldehyde
CID 101027471
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(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
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(3S,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxane-4-carbaldehyde
CID 170416081
(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,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde?
The IUPAC name of (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde (CID 130946810) is (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde.
What is the SMILES notation for (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde?
The canonical SMILES for (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde is O=CC1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde?
The InChIKey is LKAPTZKZHMOIRE-YMFWUOAHSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-3-5(9)6(10)4(2-8)11-3/h1,3-6,8-10H,2H2/t3?,4-,5-,6-/m1/s1.
What are the key properties of (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde?
(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde has a molecular weight of 162.14 g/mol, XLogP of -2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 130946810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).