(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol

C14H22O6 — CID 12965306

IUPAC(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1C=C[C@@H](O)[C@H](CC[C@H]2O[C@H](OC)C=C[C@@H]2O)O1
InChIInChI=1S/C14H22O6/c1-17-13-7-3-9(15)11(19-13)5-6-12-10(16)4-8-14(18-2)20-12/h3-4,7-16H,5-6H2,1-2H3/t9-,10+,11+,12-,13-,14+
InChIKeyCPCFTIMNOFZSGA-XUYNTYLMSA-N
MW286.32 g/mol
LogP0.34
Rot. Bonds5

About (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 12965306) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID12965306
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1C=C[C@@H](O)[C@H](CC[C@H]2O[C@H](OC)C=C[C@@H]2O)O1
InChIInChI=1S/C14H22O6/c1-17-13-7-3-9(15)11(19-13)5-6-12-10(16)4-8-14(18-2)20-12/h3-4,7-16H,5-6H2,1-2H3/t9-,10+,11+,12-,13-,14+
InChIKeyCPCFTIMNOFZSGA-XUYNTYLMSA-N
XLogP0.34
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10314695
Rosiridin
CID 25068281
Itoside L
CID 24879104
(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 53305121
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-undec-2-enoxy]oxane-3,4,5-triol
CID 101197699
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-non-2-enoxy]oxane-3,4,5-triol
CID 101197707
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-oct-2-enoxy]oxane-3,4,5-triol
CID 101744729
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(5E)-3-hydroxytrideca-1,5-dien-7,9,11-triyn-4-yl]oxyoxane-3,4,5-triol
CID 118717416
(2R,3R,4S,5S,6R)-2-[(E)-hept-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 145964937
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-undec-2-enoxy]oxane-3,4,5-triol
CID 145965293
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-oct-2-enoxy]oxane-3,4,5-triol
CID 145965793
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-non-2-enoxy]oxane-3,4,5-triol
CID 145973246

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol (CID 12965306) is (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol is CO[C@H]1C=C[C@@H](O)[C@H](CC[C@H]2O[C@H](OC)C=C[C@@H]2O)O1.
What is the InChIKey of (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is CPCFTIMNOFZSGA-XUYNTYLMSA-N. The full InChI is InChI=1S/C14H22O6/c1-17-13-7-3-9(15)11(19-13)5-6-12-10(16)4-8-14(18-2)20-12/h3-4,7-16H,5-6H2,1-2H3/t9-,10+,11+,12-,13-,14+.
What are the key properties of (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 286.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 12965306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).