(4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one

C10H16O5 — CID 11816760

IUPAC(4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one
SMILESC[C@@H](O)CCC(=O)C[C@@H]1OC(=O)C[C@@H]1O
InChIInChI=1S/C10H16O5/c1-6(11)2-3-7(12)4-9-8(13)5-10(14)15-9/h6,8-9,11,13H,2-5H2,1H3/t6-,8+,9+/m1/s1
InChIKeyZTRQRDNTNXPRFW-YEPSODPASA-N
MW216.23 g/mol
LogP-0.22
Rot. Bonds5

About (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one

(4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one (PubChem CID 11816760) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one
PubChem CID11816760
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one
SMILESC[C@@H](O)CCC(=O)C[C@@H]1OC(=O)C[C@@H]1O
InChIInChI=1S/C10H16O5/c1-6(11)2-3-7(12)4-9-8(13)5-10(14)15-9/h6,8-9,11,13H,2-5H2,1H3/t6-,8+,9+/m1/s1
InChIKeyZTRQRDNTNXPRFW-YEPSODPASA-N
XLogP-0.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one?
The IUPAC name of (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one (CID 11816760) is (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one?
The canonical SMILES for (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one is C[C@@H](O)CCC(=O)C[C@@H]1OC(=O)C[C@@H]1O.
What is the InChIKey of (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one?
The InChIKey is ZTRQRDNTNXPRFW-YEPSODPASA-N. The full InChI is InChI=1S/C10H16O5/c1-6(11)2-3-7(12)4-9-8(13)5-10(14)15-9/h6,8-9,11,13H,2-5H2,1H3/t6-,8+,9+/m1/s1.
What are the key properties of (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one?
(4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one has a molecular weight of 216.23 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-hydroxy-5-[(5R)-5-hydroxy-2-oxohexyl]oxolan-2-one is sourced from PubChem (CID 11816760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).