4,5-dihydroxy-6-phosphanyloxyhexan-3-one

C6H13O4P — CID 89354367

IUPAC4,5-dihydroxy-6-phosphanyloxyhexan-3-one
SMILESCCC(=O)C(O)C(O)COP
InChIInChI=1S/C6H13O4P/c1-2-4(7)6(9)5(8)3-10-11/h5-6,8-9H,2-3,11H2,1H3
InChIKeyFIKIDVDYDYVTIJ-UHFFFAOYSA-N
MW180.14 g/mol
LogP-0.51
Rot. Bonds5

About 4,5-dihydroxy-6-phosphanyloxyhexan-3-one

4,5-dihydroxy-6-phosphanyloxyhexan-3-one (PubChem CID 89354367) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 4,5-dihydroxy-6-phosphanyloxyhexan-3-one.

Molecular Properties

Compound Name4,5-dihydroxy-6-phosphanyloxyhexan-3-one
PubChem CID89354367
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name4,5-dihydroxy-6-phosphanyloxyhexan-3-one
SMILESCCC(=O)C(O)C(O)COP
InChIInChI=1S/C6H13O4P/c1-2-4(7)6(9)5(8)3-10-11/h5-6,8-9H,2-3,11H2,1H3
InChIKeyFIKIDVDYDYVTIJ-UHFFFAOYSA-N
XLogP-0.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4,5-dihydroxy-6-phosphanyloxyhexan-3-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

(4S,5S)-6-chloro-4,5-dihydroxyhexan-3-one
CID 130664474
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxoheptyl] dihydrogen phosphate
CID 102452330
(3R,4R)-1,3,4-trihydroxyhexan-2-one
CID 101111963
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxooctyl] dihydrogen phosphate
CID 132606689
(2R,3S)-2-methyl-4-phosphanyloxybutane-1,3-diol
CID 89333114
methyl 2,4-dihydroxy-3-methyl-5-oxoheptanoate
CID 88863835
4-hydroxyheptane-3,5-dione;uranium
CID 59435078
(4R,5S)-5-hydroxy-4-methylheptan-3-one
CID 10986363
4-methoxy-5-methylhexan-3-one
CID 83225971
4-methoxy-5-methylheptan-3-one
CID 83225969
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812
trihydroxy(propanoyl)phosphanium
CID 56636058

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-6-phosphanyloxyhexan-3-one?
The IUPAC name of 4,5-dihydroxy-6-phosphanyloxyhexan-3-one (CID 89354367) is 4,5-dihydroxy-6-phosphanyloxyhexan-3-one.
What is the SMILES notation for 4,5-dihydroxy-6-phosphanyloxyhexan-3-one?
The canonical SMILES for 4,5-dihydroxy-6-phosphanyloxyhexan-3-one is CCC(=O)C(O)C(O)COP.
What is the InChIKey of 4,5-dihydroxy-6-phosphanyloxyhexan-3-one?
The InChIKey is FIKIDVDYDYVTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-2-4(7)6(9)5(8)3-10-11/h5-6,8-9H,2-3,11H2,1H3.
What are the key properties of 4,5-dihydroxy-6-phosphanyloxyhexan-3-one?
4,5-dihydroxy-6-phosphanyloxyhexan-3-one has a molecular weight of 180.14 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-phosphanyloxyhexan-3-one is sourced from PubChem (CID 89354367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).