2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C20H36O14 — CID 20678344

IUPAC2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC1C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OCC(O)C1O
InChIInChI=1S/C20H36O14/c1-2-7-10(30-4-8(22)12(7)23)5-31-20-18(29)16(27)14(25)11(34-20)6-32-19-17(28)15(26)13(24)9(3-21)33-19/h7-29H,2-6H2,1H3
InChIKeyCUHBIMKZVSMMNS-UHFFFAOYSA-N
MW500.49 g/mol
LogP-5.23
Rot. Bonds8

About 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 20678344) has the molecular formula C20H36O14 and a molecular weight of 500.49 g/mol. Its IUPAC name is 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID20678344
Molecular FormulaC20H36O14
Molecular Weight500.49 g/mol
Exact Mass500.21
IUPAC Name2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC1C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OCC(O)C1O
InChIInChI=1S/C20H36O14/c1-2-7-10(30-4-8(22)12(7)23)5-31-20-18(29)16(27)14(25)11(34-20)6-32-19-17(28)15(26)13(24)9(3-21)33-19/h7-29H,2-6H2,1H3
InChIKeyCUHBIMKZVSMMNS-UHFFFAOYSA-N
XLogP-5.23
TPSA228.22 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500500.49
LogP ≤ 5-5.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

(2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59965356
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 156618751
(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59163159
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173055882
(2R,3R,4S,5S,6R)-2-ethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 90479210
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91853373
(2S,5R)-2-[(3S,6R)-6-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160943943
(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91847673
(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 171933346
(2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91080533
(2R,3R,4S,5S,6R)-2-pent-2-enoxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162859117
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 20678344) is 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCC1C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OCC(O)C1O.
What is the InChIKey of 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is CUHBIMKZVSMMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O14/c1-2-7-10(30-4-8(22)12(7)23)5-31-20-18(29)16(27)14(25)11(34-20)6-32-19-17(28)15(26)13(24)9(3-21)33-19/h7-29H,2-6H2,1H3.
What are the key properties of 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 500.49 g/mol, XLogP of -5.23, 8 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 20678344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).