(1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol

C9H18O6 — CID 44573139

IUPAC(1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol
SMILESCCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C9H18O6/c1-3-15-9-7(13)5(11)4(10)6(12)8(9)14-2/h4-13H,3H2,1-2H3/t4-,5-,6-,7-,8+,9+/m0/s1
InChIKeyNFEITHHKEBCQJI-YMJWHCTPSA-N
MW222.24 g/mol
LogP-2.14
Rot. Bonds3

About (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol

(1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol (PubChem CID 44573139) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol
PubChem CID44573139
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol
SMILESCCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C9H18O6/c1-3-15-9-7(13)5(11)4(10)6(12)8(9)14-2/h4-13H,3H2,1-2H3/t4-,5-,6-,7-,8+,9+/m0/s1
InChIKeyNFEITHHKEBCQJI-YMJWHCTPSA-N
XLogP-2.14
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol with MolForge

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Related Compounds

(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(2,3,4,5-tetrahydroxy-6-methoxycyclohexyl)oxymethyl 2,2-dimethylpropanoate
CID 118203169
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 101177678
[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-methoxycyclohexyl] butanoate
CID 10587673
(1S,2R,3R,4S,5S,6R)-3,4,5,6-tetrabutoxycyclohexane-1,2-diol
CID 70406349
methyl [2,3,5-trihydroxy-4-methoxy-6-(methoxycarbonyloxymethoxy)cyclohexyl]oxymethyl carbonate
CID 118203152
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
CID 11636858
(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol (CID 44573139) is (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol is CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OC.
What is the InChIKey of (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol?
The InChIKey is NFEITHHKEBCQJI-YMJWHCTPSA-N. The full InChI is InChI=1S/C9H18O6/c1-3-15-9-7(13)5(11)4(10)6(12)8(9)14-2/h4-13H,3H2,1-2H3/t4-,5-,6-,7-,8+,9+/m0/s1.
What are the key properties of (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol?
(1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol has a molecular weight of 222.24 g/mol, XLogP of -2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 44573139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).