(2R,6S)-6-ethyloxane-2,3,4,5-tetrol

C7H14O5 — CID 138718011

IUPAC(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
SMILESCC[C@@H]1O[C@@H](O)C(O)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-3-4(8)5(9)6(10)7(11)12-3/h3-11H,2H2,1H3/t3-,4?,5?,6?,7+/m0/s1
InChIKeyHIPAIKSXHJHWJX-DOWYKABASA-N
MW178.18 g/mol
LogP-1.80
Rot. Bonds1

About (2R,6S)-6-ethyloxane-2,3,4,5-tetrol

(2R,6S)-6-ethyloxane-2,3,4,5-tetrol (PubChem CID 138718011) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2R,6S)-6-ethyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
PubChem CID138718011
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
SMILESCC[C@@H]1O[C@@H](O)C(O)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-3-4(8)5(9)6(10)7(11)12-3/h3-11H,2H2,1H3/t3-,4?,5?,6?,7+/m0/s1
InChIKeyHIPAIKSXHJHWJX-DOWYKABASA-N
XLogP-1.80
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 163711682
(4S,5S)-6-ethyl-4-methyloxane-2,3,5-triol
CID 90429062
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-ethyloxane-2,3,4,5-tetrol?
The IUPAC name of (2R,6S)-6-ethyloxane-2,3,4,5-tetrol (CID 138718011) is (2R,6S)-6-ethyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,6S)-6-ethyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,6S)-6-ethyloxane-2,3,4,5-tetrol is CC[C@@H]1O[C@@H](O)C(O)C(O)C1O.
What is the InChIKey of (2R,6S)-6-ethyloxane-2,3,4,5-tetrol?
The InChIKey is HIPAIKSXHJHWJX-DOWYKABASA-N. The full InChI is InChI=1S/C7H14O5/c1-2-3-4(8)5(9)6(10)7(11)12-3/h3-11H,2H2,1H3/t3-,4?,5?,6?,7+/m0/s1.
What are the key properties of (2R,6S)-6-ethyloxane-2,3,4,5-tetrol?
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol has a molecular weight of 178.18 g/mol, XLogP of -1.80, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-ethyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 138718011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).