(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde

C10H18O6 — CID 13319182

IUPAC(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde
SMILESCO[C@H]1O[C@H](C=O)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H18O6/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h5-10H,1-4H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyIYCPAWCUJAFQNZ-SPFKKGSWSA-N
MW234.25 g/mol
LogP-0.40
Rot. Bonds5

About (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde

(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde (PubChem CID 13319182) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde
PubChem CID13319182
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde
SMILESCO[C@H]1O[C@H](C=O)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H18O6/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h5-10H,1-4H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyIYCPAWCUJAFQNZ-SPFKKGSWSA-N
XLogP-0.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde?
The IUPAC name of (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde (CID 13319182) is (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde.
What is the SMILES notation for (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde?
The canonical SMILES for (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde is CO[C@H]1O[C@H](C=O)[C@@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde?
The InChIKey is IYCPAWCUJAFQNZ-SPFKKGSWSA-N. The full InChI is InChI=1S/C10H18O6/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h5-10H,1-4H3/t6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde?
(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde has a molecular weight of 234.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxane-2-carbaldehyde is sourced from PubChem (CID 13319182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).