trihydroxy-(2-phosphonoacetyl)phosphanium

C2H7O7P2+ — CID 54139077

IUPACtrihydroxy-(2-phosphonoacetyl)phosphanium
SMILESO=C(CP(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C2H6O7P2/c3-2(11(7,8)9)1-10(4,5)6/h7-9H,1H2,(H-,4,5,6)/p+1
InChIKeyVZMPUPVFAPCZLR-UHFFFAOYSA-O
MW205.02 g/mol
LogP-1.57
Rot. Bonds3

About trihydroxy-(2-phosphonoacetyl)phosphanium

trihydroxy-(2-phosphonoacetyl)phosphanium (PubChem CID 54139077) has the molecular formula C2H7O7P2+ and a molecular weight of 205.02 g/mol. Its IUPAC name is trihydroxy-(2-phosphonoacetyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(2-phosphonoacetyl)phosphanium
PubChem CID54139077
Molecular FormulaC2H7O7P2+
Molecular Weight205.02 g/mol
Exact Mass204.97
IUPAC Nametrihydroxy-(2-phosphonoacetyl)phosphanium
SMILESO=C(CP(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C2H6O7P2/c3-2(11(7,8)9)1-10(4,5)6/h7-9H,1H2,(H-,4,5,6)/p+1
InChIKeyVZMPUPVFAPCZLR-UHFFFAOYSA-O
XLogP-1.57
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-(2-phosphonoacetyl)phosphanium?
The IUPAC name of trihydroxy-(2-phosphonoacetyl)phosphanium (CID 54139077) is trihydroxy-(2-phosphonoacetyl)phosphanium.
What is the SMILES notation for trihydroxy-(2-phosphonoacetyl)phosphanium?
The canonical SMILES for trihydroxy-(2-phosphonoacetyl)phosphanium is O=C(CP(=O)(O)O)[P+](O)(O)O.
What is the InChIKey of trihydroxy-(2-phosphonoacetyl)phosphanium?
The InChIKey is VZMPUPVFAPCZLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6O7P2/c3-2(11(7,8)9)1-10(4,5)6/h7-9H,1H2,(H-,4,5,6)/p+1.
What are the key properties of trihydroxy-(2-phosphonoacetyl)phosphanium?
trihydroxy-(2-phosphonoacetyl)phosphanium has a molecular weight of 205.02 g/mol, XLogP of -1.57, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2-phosphonoacetyl)phosphanium is sourced from PubChem (CID 54139077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).