(3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid

C6H13O4P — CID 174815792

IUPAC(3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid
SMILESC[C@](O)(CC(=O)O)CC(O)P
InChIInChI=1S/C6H13O4P/c1-6(10,2-4(7)8)3-5(9)11/h5,9-10H,2-3,11H2,1H3,(H,7,8)/t5?,6-/m0/s1
InChIKeyYPMNQTCDQIYYRE-GDVGLLTNSA-N
MW180.14 g/mol
LogP-0.20
Rot. Bonds4

About (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid

(3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid (PubChem CID 174815792) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid.

Molecular Properties

Compound Name(3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid
PubChem CID174815792
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name(3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid
SMILESC[C@](O)(CC(=O)O)CC(O)P
InChIInChI=1S/C6H13O4P/c1-6(10,2-4(7)8)3-5(9)11/h5,9-10H,2-3,11H2,1H3,(H,7,8)/t5?,6-/m0/s1
InChIKeyYPMNQTCDQIYYRE-GDVGLLTNSA-N
XLogP-0.20
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxy-3-methyl-5-oxo-5-sulfanylpentanoic acid
CID 54669581
3-hydroxy-3-(trideuteriomethyl)pentanedioic acid
CID 15558722
3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 66002629
3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
CID 169324245
3-hydroxy-3-iodobutanoic acid
CID 174497141
benzene;3-hydroxy-3-methylbutanoic acid
CID 67584950
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-dimethylbutanoic acid;yttrium
CID 59798482

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid?
The IUPAC name of (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid (CID 174815792) is (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid.
What is the SMILES notation for (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid?
The canonical SMILES for (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid is C[C@](O)(CC(=O)O)CC(O)P.
What is the InChIKey of (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid?
The InChIKey is YPMNQTCDQIYYRE-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H13O4P/c1-6(10,2-4(7)8)3-5(9)11/h5,9-10H,2-3,11H2,1H3,(H,7,8)/t5?,6-/m0/s1.
What are the key properties of (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid?
(3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid has a molecular weight of 180.14 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid is sourced from PubChem (CID 174815792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).