(3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid

C8H18O7P2 — CID 21394099

IUPAC(3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid
SMILESCOP1(=O)OC(C)(P(=O)(O)O)C(C)(C)C1(C)O
InChIInChI=1S/C8H18O7P2/c1-6(2)7(3,9)17(13,14-5)15-8(6,4)16(10,11)12/h9H,1-5H3,(H2,10,11,12)
InChIKeyFSDRAFYTBVTOTD-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.48
Rot. Bonds2

About (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid

(3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid (PubChem CID 21394099) has the molecular formula C8H18O7P2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid.

Molecular Properties

Compound Name(3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid
PubChem CID21394099
Molecular FormulaC8H18O7P2
Molecular Weight288.17 g/mol
Exact Mass288.05
IUPAC Name(3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid
SMILESCOP1(=O)OC(C)(P(=O)(O)O)C(C)(C)C1(C)O
InChIInChI=1S/C8H18O7P2/c1-6(2)7(3,9)17(13,14-5)15-8(6,4)16(10,11)12/h9H,1-5H3,(H2,10,11,12)
InChIKeyFSDRAFYTBVTOTD-UHFFFAOYSA-N
XLogP1.48
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.48
H-Bond Donors ≤ 53
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 (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid?
The IUPAC name of (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid (CID 21394099) is (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid.
What is the SMILES notation for (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid?
The canonical SMILES for (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid is COP1(=O)OC(C)(P(=O)(O)O)C(C)(C)C1(C)O.
What is the InChIKey of (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid?
The InChIKey is FSDRAFYTBVTOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O7P2/c1-6(2)7(3,9)17(13,14-5)15-8(6,4)16(10,11)12/h9H,1-5H3,(H2,10,11,12).
What are the key properties of (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid?
(3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid has a molecular weight of 288.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid is sourced from PubChem (CID 21394099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).