(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol

C10H16O4 — CID 131844419

IUPAC(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
SMILESCCO[C@@H]1C=C[C@@H](O)[C@@H]([C@H]2O[C@@H]2C)O1
InChIInChI=1S/C10H16O4/c1-3-12-8-5-4-7(11)10(14-8)9-6(2)13-9/h4-11H,3H2,1-2H3/t6-,7-,8+,9+,10+/m1/s1
InChIKeyUISIEUCXEGPPIP-ZJDVBMNYSA-N
MW200.23 g/mol
LogP0.45
Rot. Bonds3

About (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol

(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 131844419) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
PubChem CID131844419
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
SMILESCCO[C@@H]1C=C[C@@H](O)[C@@H]([C@H]2O[C@@H]2C)O1
InChIInChI=1S/C10H16O4/c1-3-12-8-5-4-7(11)10(14-8)9-6(2)13-9/h4-11H,3H2,1-2H3/t6-,7-,8+,9+,10+/m1/s1
InChIKeyUISIEUCXEGPPIP-ZJDVBMNYSA-N
XLogP0.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
CID 11064625
(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
(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 132567869
acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
CID 70572460
[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 101192067
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 102291658
(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 143821584
[(2R,3R,6S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897404
2-ethoxy-2H-oxete
CID 175705413
6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol (CID 131844419) is (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol is CCO[C@@H]1C=C[C@@H](O)[C@@H]([C@H]2O[C@@H]2C)O1.
What is the InChIKey of (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is UISIEUCXEGPPIP-ZJDVBMNYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-12-8-5-4-7(11)10(14-8)9-6(2)13-9/h4-11H,3H2,1-2H3/t6-,7-,8+,9+,10+/m1/s1.
What are the key properties of (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 200.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 131844419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).