2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid

C10H19O6P — CID 87930790

IUPAC2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid
SMILESCP(=O)(O)CCCC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C10H19O6P/c1-17(15,16)7-3-5-8(10(13)14)4-2-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyLHZIGTAJHPQXSB-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.62
Rot. Bonds9

About 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid

2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid (PubChem CID 87930790) has the molecular formula C10H19O6P and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid.

Molecular Properties

Compound Name2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid
PubChem CID87930790
Molecular FormulaC10H19O6P
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Name2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid
SMILESCP(=O)(O)CCCC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C10H19O6P/c1-17(15,16)7-3-5-8(10(13)14)4-2-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyLHZIGTAJHPQXSB-UHFFFAOYSA-N
XLogP1.62
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.62
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

sodium;2-hex-5-enylhexanedioic acid;hydride
CID 175176644
2-(3-hydroxypropyl)hexanedioic acid
CID 22731110
henicosane-1,11,21-tricarboxylic acid
CID 12632759
2-decylhexanedioic acid;2-octylhexanedioic acid
CID 87982352
2-(3-hydroxybutyl)hexanedioic acid
CID 134209851
2-(2-methylprop-2-enyl)hexanedioic acid
CID 87346147
7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid
CID 100975379
2-(5-hydroxyheptyl)hexanedioic acid
CID 134209805
2-(bromomethyl)hexanedioic acid
CID 18533041
2-decyldecanedioic acid
CID 154173290
hentriacontane-1,19,26-tricarboxylic acid
CID 174861570
2-octyltridecanedioic acid
CID 4026101

Frequently Asked Questions

What is the IUPAC name of 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid?
The IUPAC name of 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid (CID 87930790) is 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid.
What is the SMILES notation for 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid?
The canonical SMILES for 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid is CP(=O)(O)CCCC(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid?
The InChIKey is LHZIGTAJHPQXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O6P/c1-17(15,16)7-3-5-8(10(13)14)4-2-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid?
2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid has a molecular weight of 266.23 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid is sourced from PubChem (CID 87930790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).