(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid

C5H11O8P — CID 19890996

IUPAC(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid
SMILESO=CC(O)C(O)C(O)C(O)P(=O)(O)O
InChIInChI=1S/C5H11O8P/c6-1-2(7)3(8)4(9)5(10)14(11,12)13/h1-5,7-10H,(H2,11,12,13)
InChIKeyPQZFJYJJSGFFIK-UHFFFAOYSA-N
MW230.11 g/mol
LogP-3.24
Rot. Bonds5

About (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid

(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid (PubChem CID 19890996) has the molecular formula C5H11O8P and a molecular weight of 230.11 g/mol. Its IUPAC name is (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid.

Molecular Properties

Compound Name(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid
PubChem CID19890996
Molecular FormulaC5H11O8P
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid
SMILESO=CC(O)C(O)C(O)C(O)P(=O)(O)O
InChIInChI=1S/C5H11O8P/c6-1-2(7)3(8)4(9)5(10)14(11,12)13/h1-5,7-10H,(H2,11,12,13)
InChIKeyPQZFJYJJSGFFIK-UHFFFAOYSA-N
XLogP-3.24
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.11
LogP ≤ 5-3.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid?
The IUPAC name of (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid (CID 19890996) is (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid.
What is the SMILES notation for (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid?
The canonical SMILES for (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid is O=CC(O)C(O)C(O)C(O)P(=O)(O)O.
What is the InChIKey of (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid?
The InChIKey is PQZFJYJJSGFFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O8P/c6-1-2(7)3(8)4(9)5(10)14(11,12)13/h1-5,7-10H,(H2,11,12,13).
What are the key properties of (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid?
(1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid has a molecular weight of 230.11 g/mol, XLogP of -3.24, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4-tetrahydroxy-5-oxopentyl)phosphonic acid is sourced from PubChem (CID 19890996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).