ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol

C11H24O5 — CID 142172396

IUPACethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
SMILESCC.COC1C(OC)[C@H](O)OC(C)[C@@H]1OC
InChIInChI=1S/C9H18O5.C2H6/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5;1-2/h5-10H,1-4H3;1-2H3/t5?,6-,7?,8?,9+;/m0./s1
InChIKeyUWHLPCYBTFUUKN-OMCIRFFZSA-N
MW236.31 g/mol
LogP0.79
Rot. Bonds3

About ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol

ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol (PubChem CID 142172396) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol.

Molecular Properties

Compound Nameethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
PubChem CID142172396
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Nameethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
SMILESCC.COC1C(OC)[C@H](O)OC(C)[C@@H]1OC
InChIInChI=1S/C9H18O5.C2H6/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5;1-2/h5-10H,1-4H3;1-2H3/t5?,6-,7?,8?,9+;/m0./s1
InChIKeyUWHLPCYBTFUUKN-OMCIRFFZSA-N
XLogP0.79
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
CID 76621622
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
3-methoxy-4,5,6-trimethyloxan-2-ol
CID 58298710
(2S,3S,4R,5R,6S)-6-[(2S,3R,4R,5S,6S)-5-hydroxy-2-[(2S,3S,4R,5R)-6-hydroxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
CID 91858811
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
(3S,4R,5R,6S)-2-iodo-3,4,5-trimethoxy-6-methyloxane
CID 160900646

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol?
The IUPAC name of ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol (CID 142172396) is ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol.
What is the SMILES notation for ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol?
The canonical SMILES for ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol is CC.COC1C(OC)[C@H](O)OC(C)[C@@H]1OC.
What is the InChIKey of ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol?
The InChIKey is UWHLPCYBTFUUKN-OMCIRFFZSA-N. The full InChI is InChI=1S/C9H18O5.C2H6/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5;1-2/h5-10H,1-4H3;1-2H3/t5?,6-,7?,8?,9+;/m0./s1.
What are the key properties of ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol?
ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol is sourced from PubChem (CID 142172396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).