1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol

C18H28O4P2 — CID 20718092

IUPAC1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol
SMILESCC1C(O)C(O)C(C)P1c1ccccc1P1C(C)C(O)C(O)C1C
InChIInChI=1S/C18H28O4P2/c1-9-15(19)16(20)10(2)23(9)13-7-5-6-8-14(13)24-11(3)17(21)18(22)12(24)4/h5-12,15-22H,1-4H3
InChIKeyMXGLKSVVRYVBHP-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.93
Rot. Bonds2

About 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol

1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol (PubChem CID 20718092) has the molecular formula C18H28O4P2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol.

Molecular Properties

Compound Name1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol
PubChem CID20718092
Molecular FormulaC18H28O4P2
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol
SMILESCC1C(O)C(O)C(C)P1c1ccccc1P1C(C)C(O)C(O)C1C
InChIInChI=1S/C18H28O4P2/c1-9-15(19)16(20)10(2)23(9)13-7-5-6-8-14(13)24-11(3)17(21)18(22)12(24)4/h5-12,15-22H,1-4H3
InChIKeyMXGLKSVVRYVBHP-UHFFFAOYSA-N
XLogP0.93
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol?
The IUPAC name of 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol (CID 20718092) is 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol.
What is the SMILES notation for 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol?
The canonical SMILES for 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol is CC1C(O)C(O)C(C)P1c1ccccc1P1C(C)C(O)C(O)C1C.
What is the InChIKey of 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol?
The InChIKey is MXGLKSVVRYVBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4P2/c1-9-15(19)16(20)10(2)23(9)13-7-5-6-8-14(13)24-11(3)17(21)18(22)12(24)4/h5-12,15-22H,1-4H3.
What are the key properties of 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol?
1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol has a molecular weight of 370.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydroxy-2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane-3,4-diol is sourced from PubChem (CID 20718092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).