(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one

C8H14O4 — CID 162962204

IUPAC(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one
SMILESC[C@H](O)C[C@H]1C[C@H](O)CC(=O)O1
InChIInChI=1S/C8H14O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h5-7,9-10H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyBIILKGUOIKILLM-ACZMJKKPSA-N
MW174.20 g/mol
LogP-0.18
Rot. Bonds2

About (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one

(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one (PubChem CID 162962204) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one.

Molecular Properties

Compound Name(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one
PubChem CID162962204
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one
SMILESC[C@H](O)C[C@H]1C[C@H](O)CC(=O)O1
InChIInChI=1S/C8H14O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h5-7,9-10H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyBIILKGUOIKILLM-ACZMJKKPSA-N
XLogP-0.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one?
The IUPAC name of (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one (CID 162962204) is (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one.
What is the SMILES notation for (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one?
The canonical SMILES for (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one is C[C@H](O)C[C@H]1C[C@H](O)CC(=O)O1.
What is the InChIKey of (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one?
The InChIKey is BIILKGUOIKILLM-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h5-7,9-10H,2-4H2,1H3/t5-,6-,7-/m0/s1.
What are the key properties of (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one?
(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one has a molecular weight of 174.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one is sourced from PubChem (CID 162962204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).