(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal

C7H14O6 — CID 55250310

IUPAC(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
SMILESCO[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C=O
InChIInChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3/t4-,5+,6+,7-/m1/s1
InChIKeyRMTFNDVZYPHUEF-JRTVQGFMSA-N
MW194.18 g/mol
LogP-2.72
Rot. Bonds6

About (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal

(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal (PubChem CID 55250310) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
PubChem CID55250310
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
SMILESCO[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C=O
InChIInChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3/t4-,5+,6+,7-/m1/s1
InChIKeyRMTFNDVZYPHUEF-JRTVQGFMSA-N
XLogP-2.72
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.72
H-Bond Donors ≤ 54
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 (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal?
The IUPAC name of (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal (CID 55250310) is (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal.
What is the SMILES notation for (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal?
The canonical SMILES for (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal is CO[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C=O.
What is the InChIKey of (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal?
The InChIKey is RMTFNDVZYPHUEF-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3/t4-,5+,6+,7-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal?
(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal has a molecular weight of 194.18 g/mol, XLogP of -2.72, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal is sourced from PubChem (CID 55250310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).