(2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol

C16H30O10 — CID 161448657

IUPAC(2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol
SMILESCC[C@H]1C(O)[C@H](OC[C@@H]2C(CO)O[C@@H](OC)C(O)[C@@H]2O)OC(CO)[C@H]1O
InChIInChI=1S/C16H30O10/c1-3-7-11(19)10(5-18)26-16(13(7)21)24-6-8-9(4-17)25-15(23-2)14(22)12(8)20/h7-22H,3-6H2,1-2H3/t7-,8-,9?,10?,11+,12-,13?,14?,15-,16-/m1/s1
InChIKeyWAFPUOJOENKHKY-NHFCYUOXSA-N
MW382.41 g/mol
LogP-2.83
Rot. Bonds7

About (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol

(2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 161448657) has the molecular formula C16H30O10 and a molecular weight of 382.41 g/mol. Its IUPAC name is (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol
PubChem CID161448657
Molecular FormulaC16H30O10
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Name(2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol
SMILESCC[C@H]1C(O)[C@H](OC[C@@H]2C(CO)O[C@@H](OC)C(O)[C@@H]2O)OC(CO)[C@H]1O
InChIInChI=1S/C16H30O10/c1-3-7-11(19)10(5-18)26-16(13(7)21)24-6-8-9(4-17)25-15(23-2)14(22)12(8)20/h7-22H,3-6H2,1-2H3/t7-,8-,9?,10?,11+,12-,13?,14?,15-,16-/m1/s1
InChIKeyWAFPUOJOENKHKY-NHFCYUOXSA-N
XLogP-2.83
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 5-2.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol with MolForge

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Related Compounds

(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
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162937440
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101094442
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101155404
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxepane-3,4,5,6-tetrol
CID 25194280
(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol
CID 174085812
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol?
The IUPAC name of (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol (CID 161448657) is (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol.
What is the SMILES notation for (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol?
The canonical SMILES for (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol is CC[C@H]1C(O)[C@H](OC[C@@H]2C(CO)O[C@@H](OC)C(O)[C@@H]2O)OC(CO)[C@H]1O.
What is the InChIKey of (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol?
The InChIKey is WAFPUOJOENKHKY-NHFCYUOXSA-N. The full InChI is InChI=1S/C16H30O10/c1-3-7-11(19)10(5-18)26-16(13(7)21)24-6-8-9(4-17)25-15(23-2)14(22)12(8)20/h7-22H,3-6H2,1-2H3/t7-,8-,9?,10?,11+,12-,13?,14?,15-,16-/m1/s1.
What are the key properties of (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol?
(2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 382.41 g/mol, XLogP of -2.83, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 161448657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).