(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol

C8H16O5 — CID 58503038

IUPAC(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
SMILESCCC1O[C@@H](OC)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-3-4-5(9)6(10)7(11)8(12-2)13-4/h4-11H,3H2,1-2H3/t4?,5-,6+,7?,8+/m0/s1
InChIKeyICJDWETZEPFXIX-ZMZKTPDWSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds2

About (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol

(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol (PubChem CID 58503038) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
PubChem CID58503038
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
SMILESCCC1O[C@@H](OC)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-3-4-5(9)6(10)7(11)8(12-2)13-4/h4-11H,3H2,1-2H3/t4?,5-,6+,7?,8+/m0/s1
InChIKeyICJDWETZEPFXIX-ZMZKTPDWSA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
cyclohexane-1,2,3,4,5,6-hexol;bis((2R,4S,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol);(2R,4S,5R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 158329736
[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methanesulfonic acid
CID 127048443
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 59109229

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol (CID 58503038) is (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol is CCC1O[C@@H](OC)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol?
The InChIKey is ICJDWETZEPFXIX-ZMZKTPDWSA-N. The full InChI is InChI=1S/C8H16O5/c1-3-4-5(9)6(10)7(11)8(12-2)13-4/h4-11H,3H2,1-2H3/t4?,5-,6+,7?,8+/m0/s1.
What are the key properties of (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol?
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 58503038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).