(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

C19H36O10 — CID 162910984

IUPAC(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILESCC[C@H](CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
InChIInChI=1S/C19H36O10/c1-4-10(9(2)3)5-6-26-19-17(25)15(23)14(22)12(29-19)8-28-18-16(24)13(21)11(20)7-27-18/h9-25H,4-8H2,1-3H3/t10-,11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
InChIKeyQJQOVJJFDMZWSM-JZUPCCSTSA-N
MW424.49 g/mol
LogP-1.66
Rot. Bonds9

About (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol (PubChem CID 162910984) has the molecular formula C19H36O10 and a molecular weight of 424.49 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
PubChem CID162910984
Molecular FormulaC19H36O10
Molecular Weight424.49 g/mol
Exact Mass424.23
IUPAC Name(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILESCC[C@H](CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
InChIInChI=1S/C19H36O10/c1-4-10(9(2)3)5-6-26-19-17(25)15(23)14(22)12(29-19)8-28-18-16(24)13(21)11(20)7-27-18/h9-25H,4-8H2,1-3H3/t10-,11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
InChIKeyQJQOVJJFDMZWSM-JZUPCCSTSA-N
XLogP-1.66
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 5-1.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol with MolForge

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Related Compounds

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dodecyl beta-D-maltoside
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CID 24848590
Cyclohexyl-Hexyl-Beta-D-Maltoside
CID 447688
Polyglucosan
CID 71312131
3-Fucosyllactose
CID 16216990
Dodecyl-Alpha-D-Maltoside
CID 445456
alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-Glcp
CID 5288272
(2R,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 53477780
Methyl beta-lactoside
CID 121942
alpha-D-Allopyranoside, 6-deoxy-4-O-octyl-alpha-D-glucopyranosyl 6-deoxy-4-O-octyl-
CID 5273359

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol (CID 162910984) is (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol is CC[C@H](CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The InChIKey is QJQOVJJFDMZWSM-JZUPCCSTSA-N. The full InChI is InChI=1S/C19H36O10/c1-4-10(9(2)3)5-6-26-19-17(25)15(23)14(22)12(29-19)8-28-18-16(24)13(21)11(20)7-27-18/h9-25H,4-8H2,1-3H3/t10-,11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol has a molecular weight of 424.49 g/mol, XLogP of -1.66, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol is sourced from PubChem (CID 162910984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).