(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde

C8H14O5 — CID 142172348

IUPAC(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde
SMILESC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](C=O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-4-7(11)5(2-9)8(12)6(3-10)13-4/h2,4-8,10-12H,3H2,1H3/t4-,5+,6+,7-,8-/m0/s1
InChIKeyCYXXGVGSJVMDFS-SHGPDSBTSA-N
MW190.19 g/mol
LogP-1.70
Rot. Bonds2

About (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde

(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde (PubChem CID 142172348) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde
PubChem CID142172348
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde
SMILESC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](C=O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-4-7(11)5(2-9)8(12)6(3-10)13-4/h2,4-8,10-12H,3H2,1H3/t4-,5+,6+,7-,8-/m0/s1
InChIKeyCYXXGVGSJVMDFS-SHGPDSBTSA-N
XLogP-1.70
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde?
The IUPAC name of (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde (CID 142172348) is (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde.
What is the SMILES notation for (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde?
The canonical SMILES for (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde is C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](C=O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde?
The InChIKey is CYXXGVGSJVMDFS-SHGPDSBTSA-N. The full InChI is InChI=1S/C8H14O5/c1-4-7(11)5(2-9)8(12)6(3-10)13-4/h2,4-8,10-12H,3H2,1H3/t4-,5+,6+,7-,8-/m0/s1.
What are the key properties of (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde?
(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde has a molecular weight of 190.19 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxane-4-carbaldehyde is sourced from PubChem (CID 142172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).