(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol

C8H16O4 — CID 88980068

IUPAC(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
SMILESCCC1(O)C(O)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C8H16O4/c1-3-8(11)5(2)12-6(4-9)7(8)10/h5-7,9-11H,3-4H2,1-2H3/t5-,6+,7?,8?/m0/s1
InChIKeyUNWANJONCSSZMX-JAFIHTMFSA-N
MW176.21 g/mol
LogP-0.73
Rot. Bonds2

About (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol

(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol (PubChem CID 88980068) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
PubChem CID88980068
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
SMILESCCC1(O)C(O)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C8H16O4/c1-3-8(11)5(2)12-6(4-9)7(8)10/h5-7,9-11H,3-4H2,1-2H3/t5-,6+,7?,8?/m0/s1
InChIKeyUNWANJONCSSZMX-JAFIHTMFSA-N
XLogP-0.73
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The IUPAC name of (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol (CID 88980068) is (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The canonical SMILES for (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol is CCC1(O)C(O)[C@@H](CO)O[C@H]1C.
What is the InChIKey of (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The InChIKey is UNWANJONCSSZMX-JAFIHTMFSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-8(11)5(2)12-6(4-9)7(8)10/h5-7,9-11H,3-4H2,1-2H3/t5-,6+,7?,8?/m0/s1.
What are the key properties of (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol has a molecular weight of 176.21 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol is sourced from PubChem (CID 88980068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).