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

C11H26O6 — CID 170573273

IUPACethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
SMILESCC.CC.CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C7H14O6.2C2H6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11;2*1-2/h3-11H,2H2,1H3;2*1-2H3/t3-,4-,5+,6-,7-;;/m1../s1
InChIKeyTWRGFNSVBGHJEE-LWAXSXSZSA-N
MW254.32 g/mol
LogP-0.51
Rot. Bonds2

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

ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol (PubChem CID 170573273) has the molecular formula C11H26O6 and a molecular weight of 254.32 g/mol. Its IUPAC name is ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol.

Molecular Properties

Compound Nameethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
PubChem CID170573273
Molecular FormulaC11H26O6
Molecular Weight254.32 g/mol
Exact Mass254.17
IUPAC Nameethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
SMILESCC.CC.CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C7H14O6.2C2H6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11;2*1-2/h3-11H,2H2,1H3;2*1-2H3/t3-,4-,5+,6-,7-;;/m1../s1
InChIKeyTWRGFNSVBGHJEE-LWAXSXSZSA-N
XLogP-0.51
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
CID 118274798
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol?
The IUPAC name of ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol (CID 170573273) is ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol.
What is the SMILES notation for ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol?
The canonical SMILES for ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol is CC.CC.CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol?
The InChIKey is TWRGFNSVBGHJEE-LWAXSXSZSA-N. The full InChI is InChI=1S/C7H14O6.2C2H6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11;2*1-2/h3-11H,2H2,1H3;2*1-2H3/t3-,4-,5+,6-,7-;;/m1../s1.
What are the key properties of ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol?
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol has a molecular weight of 254.32 g/mol, XLogP of -0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol is sourced from PubChem (CID 170573273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).