(1-deuterio-2-oxopropyl)-trihydroxyphosphanium

C3H8O4P+ — CID 91437015

IUPAC(1-deuterio-2-oxopropyl)-trihydroxyphosphanium
SMILES[2H]C(C(C)=O)[P+](O)(O)O
InChIInChI=1S/C3H8O4P/c1-3(4)2-8(5,6)7/h5-7H,2H2,1H3/q+1/i2D
InChIKeyBKIFMXCSOFHGBC-VMNATFBRSA-N
MW140.07 g/mol
LogP-0.69
Rot. Bonds2

About (1-deuterio-2-oxopropyl)-trihydroxyphosphanium

(1-deuterio-2-oxopropyl)-trihydroxyphosphanium (PubChem CID 91437015) has the molecular formula C3H8O4P+ and a molecular weight of 140.07 g/mol. Its IUPAC name is (1-deuterio-2-oxopropyl)-trihydroxyphosphanium.

Molecular Properties

Compound Name(1-deuterio-2-oxopropyl)-trihydroxyphosphanium
PubChem CID91437015
Molecular FormulaC3H8O4P+
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Name(1-deuterio-2-oxopropyl)-trihydroxyphosphanium
SMILES[2H]C(C(C)=O)[P+](O)(O)O
InChIInChI=1S/C3H8O4P/c1-3(4)2-8(5,6)7/h5-7H,2H2,1H3/q+1/i2D
InChIKeyBKIFMXCSOFHGBC-VMNATFBRSA-N
XLogP-0.69
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Oxopropyl)phosphonic Acid
CID 425760
(3-Oxobutyl)phosphonic acid
CID 15667653
Trihydroxy(2-oxopropyl)phosphanium
CID 54535338
Trihydroxy(2-oxobutyl)phosphanium
CID 88999678
(2-Oxo-1-phosphonopropyl)phosphonic acid
CID 54223338
Acetonylphosphonate
CID 25202765
Acetonyl thiophosphonic acid
CID 59034135
Trihydroxy(2-oxopropanoyl)phosphanium
CID 90965797
3-Oxobutan-2-ylphosphonic acid
CID 330863
2-Oxobutylphosphonic acid
CID 20348398
2-Oxopropylphosphonous acid
CID 20532336
Butane;2-oxopropylphosphonic acid
CID 21667478

Frequently Asked Questions

What is the IUPAC name of (1-deuterio-2-oxopropyl)-trihydroxyphosphanium?
The IUPAC name of (1-deuterio-2-oxopropyl)-trihydroxyphosphanium (CID 91437015) is (1-deuterio-2-oxopropyl)-trihydroxyphosphanium.
What is the SMILES notation for (1-deuterio-2-oxopropyl)-trihydroxyphosphanium?
The canonical SMILES for (1-deuterio-2-oxopropyl)-trihydroxyphosphanium is [2H]C(C(C)=O)[P+](O)(O)O.
What is the InChIKey of (1-deuterio-2-oxopropyl)-trihydroxyphosphanium?
The InChIKey is BKIFMXCSOFHGBC-VMNATFBRSA-N. The full InChI is InChI=1S/C3H8O4P/c1-3(4)2-8(5,6)7/h5-7H,2H2,1H3/q+1/i2D.
What are the key properties of (1-deuterio-2-oxopropyl)-trihydroxyphosphanium?
(1-deuterio-2-oxopropyl)-trihydroxyphosphanium has a molecular weight of 140.07 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuterio-2-oxopropyl)-trihydroxyphosphanium is sourced from PubChem (CID 91437015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).