trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium

C3H9O9P2+ — CID 57195616

IUPACtrihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium
SMILESO=C(CO)C(OP(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C3H8O9P2/c4-1-2(5)3(13(6,7)8)12-14(9,10)11/h3-4,6-8H,1H2,(H-,9,10,11)/p+1
InChIKeySVTIDEDSDNTMIA-UHFFFAOYSA-O
MW251.04 g/mol
LogP-2.28
Rot. Bonds5

About trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium

trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium (PubChem CID 57195616) has the molecular formula C3H9O9P2+ and a molecular weight of 251.04 g/mol. Its IUPAC name is trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium
PubChem CID57195616
Molecular FormulaC3H9O9P2+
Molecular Weight251.04 g/mol
Exact Mass250.97
IUPAC Nametrihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium
SMILESO=C(CO)C(OP(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C3H8O9P2/c4-1-2(5)3(13(6,7)8)12-14(9,10)11/h3-4,6-8H,1H2,(H-,9,10,11)/p+1
InChIKeySVTIDEDSDNTMIA-UHFFFAOYSA-O
XLogP-2.28
TPSA164.75 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.04
LogP ≤ 5-2.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium?
The IUPAC name of trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium (CID 57195616) is trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium.
What is the SMILES notation for trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium?
The canonical SMILES for trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium is O=C(CO)C(OP(=O)(O)O)[P+](O)(O)O.
What is the InChIKey of trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium?
The InChIKey is SVTIDEDSDNTMIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8O9P2/c4-1-2(5)3(13(6,7)8)12-14(9,10)11/h3-4,6-8H,1H2,(H-,9,10,11)/p+1.
What are the key properties of trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium?
trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium has a molecular weight of 251.04 g/mol, XLogP of -2.28, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium is sourced from PubChem (CID 57195616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).