(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one

C5H8O4 — CID 131176445

IUPAC(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC[C@H](CO)[C@@H]1O
InChIInChI=1S/C5H8O4/c6-1-3-2-9-5(8)4(3)7/h3-4,6-7H,1-2H2/t3-,4-/m0/s1
InChIKeyBMPBVOIZIMFSAC-IMJSIDKUSA-N
MW132.11 g/mol
LogP-1.49
Rot. Bonds1

About (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one

(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one (PubChem CID 131176445) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
PubChem CID131176445
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC[C@H](CO)[C@@H]1O
InChIInChI=1S/C5H8O4/c6-1-3-2-9-5(8)4(3)7/h3-4,6-7H,1-2H2/t3-,4-/m0/s1
InChIKeyBMPBVOIZIMFSAC-IMJSIDKUSA-N
XLogP-1.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one (CID 131176445) is (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one is O=C1OC[C@H](CO)[C@@H]1O.
What is the InChIKey of (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one?
The InChIKey is BMPBVOIZIMFSAC-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8O4/c6-1-3-2-9-5(8)4(3)7/h3-4,6-7H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one?
(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one has a molecular weight of 132.11 g/mol, XLogP of -1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 131176445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).