(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium

C13H16O6P+ — CID 70151667

IUPAC(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium
SMILESO=C(O)CCC(C(=O)O)C(Cc1ccccc1)[P+](=O)O
InChIInChI=1S/C13H15O6P/c14-12(15)7-6-10(13(16)17)11(20(18)19)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2-,14,15,16,17,18,19)/p+1
InChIKeyKUUDKBBXTNWTLQ-UHFFFAOYSA-O
MW299.24 g/mol
LogP1.90
Rot. Bonds8

About (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium

(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium (PubChem CID 70151667) has the molecular formula C13H16O6P+ and a molecular weight of 299.24 g/mol. Its IUPAC name is (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium
PubChem CID70151667
Molecular FormulaC13H16O6P+
Molecular Weight299.24 g/mol
Exact Mass299.07
IUPAC Name(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium
SMILESO=C(O)CCC(C(=O)O)C(Cc1ccccc1)[P+](=O)O
InChIInChI=1S/C13H15O6P/c14-12(15)7-6-10(13(16)17)11(20(18)19)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2-,14,15,16,17,18,19)/p+1
InChIKeyKUUDKBBXTNWTLQ-UHFFFAOYSA-O
XLogP1.90
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.90
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

(1-anilino-3,5-dicarboxypentan-2-yl)-hydroxy-oxophosphanium
CID 69294668
(2R,3R)-2,3-dibenzylhexanedioic acid
CID 172870209
[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
CID 69295089
[3,5-dicarboxy-1-(3-hydroxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
CID 69296366
[3,5-dicarboxy-1-(dibenzylamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium
CID 69296395
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium
CID 69297065
2-(1-methylsulfonyl-3-phenylpropan-2-yl)pentanedioic acid
CID 22460496
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
CID 159490168
(2S,3R)-2-benzyl-3-hydroxybutanedioic acid
CID 10944089
hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
CID 67592764

Frequently Asked Questions

What is the IUPAC name of (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium?
The IUPAC name of (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium (CID 70151667) is (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium.
What is the SMILES notation for (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium?
The canonical SMILES for (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium is O=C(O)CCC(C(=O)O)C(Cc1ccccc1)[P+](=O)O.
What is the InChIKey of (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium?
The InChIKey is KUUDKBBXTNWTLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15O6P/c14-12(15)7-6-10(13(16)17)11(20(18)19)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2-,14,15,16,17,18,19)/p+1.
What are the key properties of (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium?
(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium has a molecular weight of 299.24 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium is sourced from PubChem (CID 70151667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).