(2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol

C8H16O5 — CID 129011831

IUPAC(2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol
SMILESCC(O)[C@@]1(O)C[C@@H](O)[C@H](O)O[C@@H]1C
InChIInChI=1S/C8H16O5/c1-4(9)8(12)3-6(10)7(11)13-5(8)2/h4-7,9-12H,3H2,1-2H3/t4?,5-,6-,7-,8+/m1/s1
InChIKeyGBHWSZVYPRVYEL-AZKKLRPPSA-N
MW192.21 g/mol
LogP-1.41
Rot. Bonds1

About (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol

(2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol (PubChem CID 129011831) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol.

Molecular Properties

Compound Name(2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol
PubChem CID129011831
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol
SMILESCC(O)[C@@]1(O)C[C@@H](O)[C@H](O)O[C@@H]1C
InChIInChI=1S/C8H16O5/c1-4(9)8(12)3-6(10)7(11)13-5(8)2/h4-7,9-12H,3H2,1-2H3/t4?,5-,6-,7-,8+/m1/s1
InChIKeyGBHWSZVYPRVYEL-AZKKLRPPSA-N
XLogP-1.41
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol?
The IUPAC name of (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol (CID 129011831) is (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol.
What is the SMILES notation for (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol?
The canonical SMILES for (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol is CC(O)[C@@]1(O)C[C@@H](O)[C@H](O)O[C@@H]1C.
What is the InChIKey of (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol?
The InChIKey is GBHWSZVYPRVYEL-AZKKLRPPSA-N. The full InChI is InChI=1S/C8H16O5/c1-4(9)8(12)3-6(10)7(11)13-5(8)2/h4-7,9-12H,3H2,1-2H3/t4?,5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol?
(2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol has a molecular weight of 192.21 g/mol, XLogP of -1.41, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6R)-5-(1-hydroxyethyl)-6-methyloxane-2,3,5-triol is sourced from PubChem (CID 129011831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).