dihydroxyphosphanyl 5-hydroxypent-2-enoate

C5H9O5P — CID 154503019

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 Namedihydroxyphosphanyl 5-hydroxypent-2-enoate
PubChem CID154503019
Molecular FormulaC5H9O5P
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Namedihydroxyphosphanyl 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
XLogP-0.32
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(dihydroxyphosphanyl) (Z)-but-2-enedioate
CID 174215356
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
2-hydroxyethyl (E)-9-hydroxynon-2-enoate
CID 86301644
carboxy hex-2-enoate
CID 150448885
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
(E)-4-iodobut-3-en-1-ol
CID 10821775
5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid
CID 175090544
ethyl (E)-9-hydroxy-6-oxonon-2-enoate
CID 101401306
methyl (E)-5-methoxypent-2-enoate
CID 11116178
methyl (E)-6-oxohex-2-enoate
CID 11804854
methyl (Z)-5-iodopent-2-enoate
CID 101257877
2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate
CID 141439352

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).