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

C13H20O6 — CID 134880338

IUPAC(2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@@H]1C=C[C@H](O)[C@@H](C[C@H]2O[C@H](OC)C=C[C@@H]2O)O1
InChIInChI=1S/C13H20O6/c1-16-12-5-3-8(14)10(18-12)7-11-9(15)4-6-13(17-2)19-11/h3-6,8-15H,7H2,1-2H3/t8-,9-,10+,11+,12-,13-/m0/s1
InChIKeyRZUJAIXZNHQCTC-ZJJIEKDWSA-N
MW272.30 g/mol
LogP-0.05
Rot. Bonds4

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

(2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 134880338) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID134880338
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@@H]1C=C[C@H](O)[C@@H](C[C@H]2O[C@H](OC)C=C[C@@H]2O)O1
InChIInChI=1S/C13H20O6/c1-16-12-5-3-8(14)10(18-12)7-11-9(15)4-6-13(17-2)19-11/h3-6,8-15H,7H2,1-2H3/t8-,9-,10+,11+,12-,13-/m0/s1
InChIKeyRZUJAIXZNHQCTC-ZJJIEKDWSA-N
XLogP-0.05
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.05
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-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol with MolForge

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Related Compounds

(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66555303
(2R,3S,6S)-2-(azetidin-1-ylmethyl)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 131852154
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
(3S,6S)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 14309521
[(2R,3S,6R)-3-hydroxy-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 10611945
[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 102509216
[(2S,3S,6R)-6-methoxy-2-[2-[(2R,3R,6S)-6-methoxy-3-(4-methoxybenzoyl)oxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-3,6-dihydro-2H-pyran-3-yl] 4-methoxybenzoate
CID 12965309
(2R,3S,6S)-6-[(E)-but-2-enoxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10852786
(2R,3R,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66554617
(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 11316368
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-yl]sulfanyl]oxan-3-yl]acetamide
CID 101127809
(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
CID 70300893

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol (CID 134880338) is (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol is CO[C@@H]1C=C[C@H](O)[C@@H](C[C@H]2O[C@H](OC)C=C[C@@H]2O)O1.
What is the InChIKey of (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is RZUJAIXZNHQCTC-ZJJIEKDWSA-N. The full InChI is InChI=1S/C13H20O6/c1-16-12-5-3-8(14)10(18-12)7-11-9(15)4-6-13(17-2)19-11/h3-6,8-15H,7H2,1-2H3/t8-,9-,10+,11+,12-,13-/m0/s1.
What are the key properties of (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 272.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 134880338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).