[2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid

C7H11O7P — CID 148888156

IUPAC[2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1=CC(C(O)CO)OC1=O
InChIInChI=1S/C7H11O7P/c1-15(11,12)14-6-2-5(4(9)3-8)13-7(6)10/h2,4-5,8-9H,3H2,1H3,(H,11,12)
InChIKeyNUOCMFKEJPCTPL-UHFFFAOYSA-N
MW238.13 g/mol
LogP-1.02
Rot. Bonds4

About [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid

[2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid (PubChem CID 148888156) has the molecular formula C7H11O7P and a molecular weight of 238.13 g/mol. Its IUPAC name is [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid
PubChem CID148888156
Molecular FormulaC7H11O7P
Molecular Weight238.13 g/mol
Exact Mass238.02
IUPAC Name[2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1=CC(C(O)CO)OC1=O
InChIInChI=1S/C7H11O7P/c1-15(11,12)14-6-2-5(4(9)3-8)13-7(6)10/h2,4-5,8-9H,3H2,1H3,(H,11,12)
InChIKeyNUOCMFKEJPCTPL-UHFFFAOYSA-N
XLogP-1.02
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sodium Ascorbyl Phosphate
CID 10990876
Ascorbic acid 2-phosphate
CID 54679073
L-Ascorbate-2-Phosphate
CID 54702575
Sodium calcium ascorbyl phosphate
CID 10925118
L-ascorbate 6-phosphate(3-)
CID 54735473
L-Ascorbate 6-phosphate
CID 54723872
Ascorbic acid 2-phosphate magnesium salt
CID 54679072
L-Ascorbic Acid Phospate Magnesium Salt Hydrate
CID 70684777
l-ascorbic acid-2-phosphate magnesium salt
CID 54710612
Ascorbyl phosphate
CID 54712709
Ascorbate-3-phosphate
CID 159904
L-ascorbic acid phosphate magnesium salt
CID 54680188

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid?
The IUPAC name of [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid (CID 148888156) is [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid.
What is the SMILES notation for [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid?
The canonical SMILES for [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid is CP(=O)(O)OC1=CC(C(O)CO)OC1=O.
What is the InChIKey of [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid?
The InChIKey is NUOCMFKEJPCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O7P/c1-15(11,12)14-6-2-5(4(9)3-8)13-7(6)10/h2,4-5,8-9H,3H2,1H3,(H,11,12).
What are the key properties of [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid?
[2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid has a molecular weight of 238.13 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid is sourced from PubChem (CID 148888156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).