(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol

C7H14O5 — CID 166874001

IUPAC(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
SMILESOCCC1OC[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H14O5/c8-2-1-5-7(11)6(10)4(9)3-12-5/h4-11H,1-3H2/t4-,5?,6?,7+/m0/s1
InChIKeyQQFIXQHEPNUGQE-KTSQROGYSA-N
MW178.18 g/mol
LogP-2.15
Rot. Bonds2

About (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol

(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol (PubChem CID 166874001) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
PubChem CID166874001
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
SMILESOCCC1OC[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H14O5/c8-2-1-5-7(11)6(10)4(9)3-12-5/h4-11H,1-3H2/t4-,5?,6?,7+/m0/s1
InChIKeyQQFIXQHEPNUGQE-KTSQROGYSA-N
XLogP-2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol?
The IUPAC name of (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol (CID 166874001) is (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol?
The canonical SMILES for (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol is OCCC1OC[C@H](O)C(O)[C@@H]1O.
What is the InChIKey of (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol?
The InChIKey is QQFIXQHEPNUGQE-KTSQROGYSA-N. The full InChI is InChI=1S/C7H14O5/c8-2-1-5-7(11)6(10)4(9)3-12-5/h4-11H,1-3H2/t4-,5?,6?,7+/m0/s1.
What are the key properties of (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol?
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol has a molecular weight of 178.18 g/mol, XLogP of -2.15, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol is sourced from PubChem (CID 166874001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).