(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol

C10H20O6 — CID 68989098

IUPAC(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol
SMILESCC(O)[C@H]1O[C@](C)(O)[C@H](O)[C@@](C)(O)[C@@]1(C)O
InChIInChI=1S/C10H20O6/c1-5(11)6-8(2,13)9(3,14)7(12)10(4,15)16-6/h5-7,11-15H,1-4H3/t5?,6-,7-,8+,9-,10+/m1/s1
InChIKeyUGSOKQBMZPSGEN-FNVTZQMGSA-N
MW236.26 g/mol
LogP-1.66
Rot. Bonds1

About (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol

(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol (PubChem CID 68989098) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol
PubChem CID68989098
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol
SMILESCC(O)[C@H]1O[C@](C)(O)[C@H](O)[C@@](C)(O)[C@@]1(C)O
InChIInChI=1S/C10H20O6/c1-5(11)6-8(2,13)9(3,14)7(12)10(4,15)16-6/h5-7,11-15H,1-4H3/t5?,6-,7-,8+,9-,10+/m1/s1
InChIKeyUGSOKQBMZPSGEN-FNVTZQMGSA-N
XLogP-1.66
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol (CID 68989098) is (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol is CC(O)[C@H]1O[C@](C)(O)[C@H](O)[C@@](C)(O)[C@@]1(C)O.
What is the InChIKey of (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol?
The InChIKey is UGSOKQBMZPSGEN-FNVTZQMGSA-N. The full InChI is InChI=1S/C10H20O6/c1-5(11)6-8(2,13)9(3,14)7(12)10(4,15)16-6/h5-7,11-15H,1-4H3/t5?,6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol?
(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol has a molecular weight of 236.26 g/mol, XLogP of -1.66, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 68989098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).