Dihydroxyphosphanyl 5-hydroxypent-2-enoate

Name: Dihydroxyphosphanyl 5-hydroxypent-2-enoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₉O₅P — CID 154503019

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACdihydroxyphosphanyl 5-hydroxypent-2-enoate

SMILESO=C(C=CCCO)OP(O)O

InChIInChI=1S/C5H9O5P/c6-4-2-1-3-5(7)10-11(8)9/h1,3,6,8-9H,2,4H2

InChIKeyZSMOFHKDHWHTCO-UHFFFAOYSA-N

MW180.10 g/mol

LogP-0.32

Rot. Bonds4

About Dihydroxyphosphanyl 5-hydroxypent-2-enoate

Dihydroxyphosphanyl 5-hydroxypent-2-enoate (PubChem CID 154503019) has the molecular formula C₅H₉O₅P and a molecular weight of 180.10 g/mol. Its IUPAC name is dihydroxyphosphanyl 5-hydroxypent-2-enoate.

Molecular Properties

Compound Name	Dihydroxyphosphanyl 5-hydroxypent-2-enoate
PubChem CID	154503019
Molecular Formula	C₅H₉O₅P
Molecular Weight	180.10 g/mol
Exact Mass	180.02
IUPAC Name	dihydroxyphosphanyl 5-hydroxypent-2-enoate
SMILES	O=C(C=CCCO)OP(O)O
InChI	InChI=1S/C5H9O5P/c6-4-2-1-3-5(7)10-11(8)9/h1,3,6,8-9H,2,4H2
InChIKey	ZSMOFHKDHWHTCO-UHFFFAOYSA-N
XLogP	-0.32
TPSA	86.99 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.10
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dihydroxyphosphanyl 5-hydroxypent-2-enoate?

The IUPAC name of Dihydroxyphosphanyl 5-hydroxypent-2-enoate (CID 154503019) is dihydroxyphosphanyl 5-hydroxypent-2-enoate.

What is the SMILES notation for Dihydroxyphosphanyl 5-hydroxypent-2-enoate?

The canonical SMILES for Dihydroxyphosphanyl 5-hydroxypent-2-enoate is O=C(C=CCCO)OP(O)O.

What is the InChIKey of Dihydroxyphosphanyl 5-hydroxypent-2-enoate?

The InChIKey is ZSMOFHKDHWHTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O5P/c6-4-2-1-3-5(7)10-11(8)9/h1,3,6,8-9H,2,4H2.

What are the key properties of Dihydroxyphosphanyl 5-hydroxypent-2-enoate?

Dihydroxyphosphanyl 5-hydroxypent-2-enoate has a molecular weight of 180.10 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Dihydroxyphosphanyl 5-hydroxypent-2-enoate is sourced from PubChem (CID 154503019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154503019 — identifiers, structure, computed properties (public domain)

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