butan-2-ylphosphonic acid;phosphonoformic acid

C5H14O8P2 — CID 159567547

IUPACbutan-2-ylphosphonic acid;phosphonoformic acid
SMILESCCC(C)P(=O)(O)O.O=C(O)P(=O)(O)O
InChIInChI=1S/C4H11O3P.CH3O5P/c1-3-4(2)8(5,6)7;2-1(3)7(4,5)6/h4H,3H2,1-2H3,(H2,5,6,7);(H,2,3)(H2,4,5,6)
InChIKeyMHJUQHYTJIYWAU-UHFFFAOYSA-N
MW264.11 g/mol
LogP0.80
Rot. Bonds3

About butan-2-ylphosphonic acid;phosphonoformic acid

butan-2-ylphosphonic acid;phosphonoformic acid (PubChem CID 159567547) has the molecular formula C5H14O8P2 and a molecular weight of 264.11 g/mol. Its IUPAC name is butan-2-ylphosphonic acid;phosphonoformic acid.

Molecular Properties

Compound Namebutan-2-ylphosphonic acid;phosphonoformic acid
PubChem CID159567547
Molecular FormulaC5H14O8P2
Molecular Weight264.11 g/mol
Exact Mass264.02
IUPAC Namebutan-2-ylphosphonic acid;phosphonoformic acid
SMILESCCC(C)P(=O)(O)O.O=C(O)P(=O)(O)O
InChIInChI=1S/C4H11O3P.CH3O5P/c1-3-4(2)8(5,6)7;2-1(3)7(4,5)6/h4H,3H2,1-2H3,(H2,5,6,7);(H,2,3)(H2,4,5,6)
InChIKeyMHJUQHYTJIYWAU-UHFFFAOYSA-N
XLogP0.80
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-2-ylphosphonic acid;4-phosphonobutane-1,2,3-tricarboxylic acid
CID 159640307
butane-1,2,4-tricarboxylic acid;butan-2-ylphosphonic acid
CID 175517249
3-[butan-2-yl(hydroxy)phosphoryl]propanoic acid
CID 46216498
[(2R)-1-phosphonopropan-2-yl]phosphonic acid
CID 7566477
1-phosphonopropan-2-ylphosphonic acid
CID 22023450
bis(butan-2-yl(ethyl)phosphinic acid);iron
CID 157342521
[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid
CID 140627932
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
butan-2-yl(propyl)phosphinic acid
CID 87395468
barium(2+);hydride;phosphonoformic acid
CID 173136761
decan-2-ylphosphonic acid
CID 22076607
heptadecan-2-ylphosphonic acid
CID 86620819

Frequently Asked Questions

What is the IUPAC name of butan-2-ylphosphonic acid;phosphonoformic acid?
The IUPAC name of butan-2-ylphosphonic acid;phosphonoformic acid (CID 159567547) is butan-2-ylphosphonic acid;phosphonoformic acid.
What is the SMILES notation for butan-2-ylphosphonic acid;phosphonoformic acid?
The canonical SMILES for butan-2-ylphosphonic acid;phosphonoformic acid is CCC(C)P(=O)(O)O.O=C(O)P(=O)(O)O.
What is the InChIKey of butan-2-ylphosphonic acid;phosphonoformic acid?
The InChIKey is MHJUQHYTJIYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.CH3O5P/c1-3-4(2)8(5,6)7;2-1(3)7(4,5)6/h4H,3H2,1-2H3,(H2,5,6,7);(H,2,3)(H2,4,5,6).
What are the key properties of butan-2-ylphosphonic acid;phosphonoformic acid?
butan-2-ylphosphonic acid;phosphonoformic acid has a molecular weight of 264.11 g/mol, XLogP of 0.80, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylphosphonic acid;phosphonoformic acid is sourced from PubChem (CID 159567547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).