3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C5H10O6P2 — CID 11665771

IUPAC3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESOP1OCC2(CO1)COP(O)OC2
InChIInChI=1S/C5H10O6P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h6-7H,1-4H2
InChIKeyMVQAWTXUCOQWAD-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.50
Rot. Bonds

About 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 11665771) has the molecular formula C5H10O6P2 and a molecular weight of 228.08 g/mol. Its IUPAC name is 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID11665771
Molecular FormulaC5H10O6P2
Molecular Weight228.08 g/mol
Exact Mass228.00
IUPAC Name3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESOP1OCC2(CO1)COP(O)OC2
InChIInChI=1S/C5H10O6P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h6-7H,1-4H2
InChIKeyMVQAWTXUCOQWAD-UHFFFAOYSA-N
XLogP0.50
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 11665771) is 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is OP1OCC2(CO1)COP(O)OC2.
What is the InChIKey of 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is MVQAWTXUCOQWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O6P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h6-7H,1-4H2.
What are the key properties of 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 228.08 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 11665771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).