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

C7H14O5 — CID 58340219

IUPAC(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
SMILESCC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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+/m1/s1
InChIKeyHIPAIKSXHJHWJX-ZFYZTMLRSA-N
MW178.18 g/mol
LogP-1.80
Rot. Bonds1

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

(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol (PubChem CID 58340219) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
PubChem CID58340219
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
SMILESCC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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+/m1/s1
InChIKeyHIPAIKSXHJHWJX-ZFYZTMLRSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol (CID 58340219) is (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol is CC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol?
The InChIKey is HIPAIKSXHJHWJX-ZFYZTMLRSA-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+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6R)-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 (2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 58340219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).