(3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

C9H18O7 — CID 141134965

IUPAC(3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILESCCOC1(CO)O[C@H](OC)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H18O7/c1-3-15-9(4-10)7(13)5(11)6(12)8(14-2)16-9/h5-8,10-13H,3-4H2,1-2H3/t5-,6+,7-,8+,9?/m1/s1
InChIKeyCSLYRRHZTREDAU-LOHXVAINSA-N
MW238.24 g/mol
LogP-2.20
Rot. Bonds4

About (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

(3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 141134965) has the molecular formula C9H18O7 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID141134965
Molecular FormulaC9H18O7
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Name(3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILESCCOC1(CO)O[C@H](OC)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H18O7/c1-3-15-9(4-10)7(13)5(11)6(12)8(14-2)16-9/h5-8,10-13H,3-4H2,1-2H3/t5-,6+,7-,8+,9?/m1/s1
InChIKeyCSLYRRHZTREDAU-LOHXVAINSA-N
XLogP-2.20
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 54008536
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-ethoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101220688
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S)-5-ethoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101220687
(2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6325163
(3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-2-octadecyloxane-3,4,5-triol
CID 139609663
(2R,3R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 123188389
(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 154790998
(3R,4S,5S,6R)-2-ethoxy-2-(6-fluorohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175251711
(2R,3S,4S,5R)-2-(hydroxymethyl)-2-methoxy-5-(methoxymethyl)oxolane-3,4-diol
CID 156531335
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S)-5-butoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101220690
(3R,4S,5S,6R)-2-ethoxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acid
CID 121362213
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-propan-2-yloxyoxolane-3,4-diol
CID 124638273

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (CID 141134965) is (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is CCOC1(CO)O[C@H](OC)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is CSLYRRHZTREDAU-LOHXVAINSA-N. The full InChI is InChI=1S/C9H18O7/c1-3-15-9(4-10)7(13)5(11)6(12)8(14-2)16-9/h5-8,10-13H,3-4H2,1-2H3/t5-,6+,7-,8+,9?/m1/s1.
What are the key properties of (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
(3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 238.24 g/mol, XLogP of -2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6S)-2-ethoxy-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 141134965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).