(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol

C16H30O4 — CID 53305121

IUPAC(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCCCCCCCCCCO[C@@H]1C=C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(18)15(13-17)20-16/h10-11,14-18H,2-9,12-13H2,1H3/t14-,15+,16-/m0/s1
InChIKeyQUVMOROOHBHLLT-XHSDSOJGSA-N
MW286.41 g/mol
LogP2.78
Rot. Bonds11

About (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 53305121) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID53305121
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCCCCCCCCCCO[C@@H]1C=C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(18)15(13-17)20-16/h10-11,14-18H,2-9,12-13H2,1H3/t14-,15+,16-/m0/s1
InChIKeyQUVMOROOHBHLLT-XHSDSOJGSA-N
XLogP2.78
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol (CID 53305121) is (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol is CCCCCCCCCCO[C@@H]1C=C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is QUVMOROOHBHLLT-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(18)15(13-17)20-16/h10-11,14-18H,2-9,12-13H2,1H3/t14-,15+,16-/m0/s1.
What are the key properties of (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 286.41 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 53305121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).