(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol

C14H26O8 — CID 177228824

IUPAC(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCOC1CC(O)CC(CO[C@@H]2CC(O)[C@H](O)C(CO)O2)O1
InChIInChI=1S/C14H26O8/c1-2-19-12-4-8(16)3-9(21-12)7-20-13-5-10(17)14(18)11(6-15)22-13/h8-18H,2-7H2,1H3/t8?,9?,10?,11?,12?,13-,14-/m0/s1
InChIKeyZPKDDHPVEFMMFR-LEWUNWCNSA-N
MW322.35 g/mol
LogP-1.27
Rot. Bonds6

About (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol

(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 177228824) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID177228824
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCOC1CC(O)CC(CO[C@@H]2CC(O)[C@H](O)C(CO)O2)O1
InChIInChI=1S/C14H26O8/c1-2-19-12-4-8(16)3-9(21-12)7-20-13-5-10(17)14(18)11(6-15)22-13/h8-18H,2-7H2,1H3/t8?,9?,10?,11?,12?,13-,14-/m0/s1
InChIKeyZPKDDHPVEFMMFR-LEWUNWCNSA-N
XLogP-1.27
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid
CID 177228854
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 170012214
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
CID 54321691

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol (CID 177228824) is (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol is CCOC1CC(O)CC(CO[C@@H]2CC(O)[C@H](O)C(CO)O2)O1.
What is the InChIKey of (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is ZPKDDHPVEFMMFR-LEWUNWCNSA-N. The full InChI is InChI=1S/C14H26O8/c1-2-19-12-4-8(16)3-9(21-12)7-20-13-5-10(17)14(18)11(6-15)22-13/h8-18H,2-7H2,1H3/t8?,9?,10?,11?,12?,13-,14-/m0/s1.
What are the key properties of (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 322.35 g/mol, XLogP of -1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 177228824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).