2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid

C5H11O6P — CID 175746483

IUPAC2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid
SMILESCCC(O)(C(=O)O)P(=O)(O)OC
InChIInChI=1S/C5H11O6P/c1-3-5(8,4(6)7)12(9,10)11-2/h8H,3H2,1-2H3,(H,6,7)(H,9,10)
InChIKeyIGKMMCPCSFPOCH-UHFFFAOYSA-N
MW198.11 g/mol
LogP0.00
Rot. Bonds4

About 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid

2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid (PubChem CID 175746483) has the molecular formula C5H11O6P and a molecular weight of 198.11 g/mol. Its IUPAC name is 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid
PubChem CID175746483
Molecular FormulaC5H11O6P
Molecular Weight198.11 g/mol
Exact Mass198.03
IUPAC Name2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid
SMILESCCC(O)(C(=O)O)P(=O)(O)OC
InChIInChI=1S/C5H11O6P/c1-3-5(8,4(6)7)12(9,10)11-2/h8H,3H2,1-2H3,(H,6,7)(H,9,10)
InChIKeyIGKMMCPCSFPOCH-UHFFFAOYSA-N
XLogP0.00
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 50.00
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-hydroxy-2-phosphonobutanoic acid
CID 22117039
2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid
CID 87161778
tert-butyl(methoxy)phosphinic acid
CID 14945264
(2S)-2,3-dihydroxy-2-phosphonopropanoic acid
CID 101412434
2-ethyl-2-[hydroxy(trimethylsilyloxy)phosphoryl]butanoic acid
CID 87992420
ethoxyethane;2-ethyl-2-phosphonobutanoic acid
CID 86749295
2,2-diphosphonobutane-1,1,1-tricarboxylic acid
CID 54125067
2,2,2-tris[hydroxy(methylperoxy)phosphoryl]acetic acid
CID 22381018
2-ethyl-2-[hydroxy(prop-2-enoxy)phosphoryl]butanoic acid
CID 87623083
[3-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]propyl]phosphonic acid
CID 139914990
fluoro(methoxy)phosphinic acid
CID 23235630
methoxy(1,1,2,2,2-pentafluoroethyl)phosphinic acid
CID 75530351

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid?
The IUPAC name of 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid (CID 175746483) is 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid.
What is the SMILES notation for 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid?
The canonical SMILES for 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid is CCC(O)(C(=O)O)P(=O)(O)OC.
What is the InChIKey of 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid?
The InChIKey is IGKMMCPCSFPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O6P/c1-3-5(8,4(6)7)12(9,10)11-2/h8H,3H2,1-2H3,(H,6,7)(H,9,10).
What are the key properties of 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid?
2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid has a molecular weight of 198.11 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid is sourced from PubChem (CID 175746483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).