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

C7H14O4 — CID 158000416

IUPAC(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@]1(CO)OC[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-2-7(4-8)6(10)5(9)3-11-7/h5-6,8-10H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyRFHBLPOTJXUHJZ-LYFYHCNISA-N
MW162.18 g/mol
LogP-1.12
Rot. Bonds2

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

(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 158000416) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
PubChem CID158000416
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@]1(CO)OC[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-2-7(4-8)6(10)5(9)3-11-7/h5-6,8-10H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyRFHBLPOTJXUHJZ-LYFYHCNISA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol (CID 158000416) is (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol is CC[C@]1(CO)OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is RFHBLPOTJXUHJZ-LYFYHCNISA-N. The full InChI is InChI=1S/C7H14O4/c1-2-7(4-8)6(10)5(9)3-11-7/h5-6,8-10H,2-4H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 162.18 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 158000416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).