[(2R)-1-phosphonopropan-2-yl]phosphonic acid

C3H10O6P2 — CID 7566477

IUPAC[(2R)-1-phosphonopropan-2-yl]phosphonic acid
SMILESC[C@H](CP(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H10O6P2/c1-3(11(7,8)9)2-10(4,5)6/h3H,2H2,1H3,(H2,4,5,6)(H2,7,8,9)/t3-/m1/s1
InChIKeyDZQCAOQMXPROIJ-GSVOUGTGSA-N
MW204.05 g/mol
LogP-0.27
Rot. Bonds3

About [(2R)-1-phosphonopropan-2-yl]phosphonic acid

[(2R)-1-phosphonopropan-2-yl]phosphonic acid (PubChem CID 7566477) has the molecular formula C3H10O6P2 and a molecular weight of 204.05 g/mol. Its IUPAC name is [(2R)-1-phosphonopropan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2R)-1-phosphonopropan-2-yl]phosphonic acid
PubChem CID7566477
Molecular FormulaC3H10O6P2
Molecular Weight204.05 g/mol
Exact Mass204.00
IUPAC Name[(2R)-1-phosphonopropan-2-yl]phosphonic acid
SMILESC[C@H](CP(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H10O6P2/c1-3(11(7,8)9)2-10(4,5)6/h3H,2H2,1H3,(H2,4,5,6)(H2,7,8,9)/t3-/m1/s1
InChIKeyDZQCAOQMXPROIJ-GSVOUGTGSA-N
XLogP-0.27
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-phosphonopropan-2-yl]phosphonic acid?
The IUPAC name of [(2R)-1-phosphonopropan-2-yl]phosphonic acid (CID 7566477) is [(2R)-1-phosphonopropan-2-yl]phosphonic acid.
What is the SMILES notation for [(2R)-1-phosphonopropan-2-yl]phosphonic acid?
The canonical SMILES for [(2R)-1-phosphonopropan-2-yl]phosphonic acid is C[C@H](CP(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [(2R)-1-phosphonopropan-2-yl]phosphonic acid?
The InChIKey is DZQCAOQMXPROIJ-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H10O6P2/c1-3(11(7,8)9)2-10(4,5)6/h3H,2H2,1H3,(H2,4,5,6)(H2,7,8,9)/t3-/m1/s1.
What are the key properties of [(2R)-1-phosphonopropan-2-yl]phosphonic acid?
[(2R)-1-phosphonopropan-2-yl]phosphonic acid has a molecular weight of 204.05 g/mol, XLogP of -0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-phosphonopropan-2-yl]phosphonic acid is sourced from PubChem (CID 7566477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).