(3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one

C8H16O5 — CID 10375309

IUPAC(3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one
SMILESCCC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO
InChIInChI=1S/C8H16O5/c1-2-3-5(10)7(12)8(13)6(11)4-9/h5,7-10,12-13H,2-4H2,1H3/t5-,7-,8-/m0/s1
InChIKeyREZBCKCTJLFEPL-GEVIPFJHSA-N
MW192.21 g/mol
LogP-1.57
Rot. Bonds6

About (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one

(3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one (PubChem CID 10375309) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one
PubChem CID10375309
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one
SMILESCCC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO
InChIInChI=1S/C8H16O5/c1-2-3-5(10)7(12)8(13)6(11)4-9/h5,7-10,12-13H,2-4H2,1H3/t5-,7-,8-/m0/s1
InChIKeyREZBCKCTJLFEPL-GEVIPFJHSA-N
XLogP-1.57
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4,5,6-pentahydroxyhexan-2-one
CID 174437869
(3S,4R,5R)-1,3,4,5,6-pentahydroxy(2,5-13C2)hexan-2-one
CID 131873541
iron(3+);bis((3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one)
CID 157392156
azane;1,3,4,5,6-pentahydroxyhexan-2-one
CID 22315777
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87261503
(3S,4R,5R)-6,6-dideuterio-1,3,4,5,6-pentahydroxyhexan-2-one
CID 101274261
decane-4,5,6,7-tetrol
CID 73238857
(3R,4R)-1,3,4-trihydroxyhexan-2-one
CID 101111963
(2R,3S,4S)-1,2,3,4,6-pentahydroxynonan-5-one
CID 141070842
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;zirconium(4+);tetraacetate
CID 22810842
octane-1,3,4,5-tetrol
CID 18506400
hexadecanoic acid;(3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 122612949

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one?
The IUPAC name of (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one (CID 10375309) is (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one.
What is the SMILES notation for (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one?
The canonical SMILES for (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one is CCC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO.
What is the InChIKey of (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one?
The InChIKey is REZBCKCTJLFEPL-GEVIPFJHSA-N. The full InChI is InChI=1S/C8H16O5/c1-2-3-5(10)7(12)8(13)6(11)4-9/h5,7-10,12-13H,2-4H2,1H3/t5-,7-,8-/m0/s1.
What are the key properties of (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one?
(3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one has a molecular weight of 192.21 g/mol, XLogP of -1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one is sourced from PubChem (CID 10375309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).