(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate

C6H16N2O15P6-2 — CID 123423670

IUPAC(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate
SMILESO=P([O-])(CN1CP(=O)(O)OP(=O)(O)C1)OP(=O)([O-])CN1CP(=O)(O)OP(=O)(O)C1
InChIInChI=1S/C6H18N2O15P6/c9-24(10)1-7(2-25(11,12)21-24)5-28(17,18)23-29(19,20)6-8-3-26(13,14)22-27(15,16)4-8/h1-6H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2
InChIKeyORDBCJMHRDMIEK-UHFFFAOYSA-L
MW542.04 g/mol
LogP-0.74
Rot. Bonds6

About (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate

(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate (PubChem CID 123423670) has the molecular formula C6H16N2O15P6-2 and a molecular weight of 542.04 g/mol. Its IUPAC name is (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate.

Molecular Properties

Compound Name(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate
PubChem CID123423670
Molecular FormulaC6H16N2O15P6-2
Molecular Weight542.04 g/mol
Exact Mass541.90
IUPAC Name(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate
SMILESO=P([O-])(CN1CP(=O)(O)OP(=O)(O)C1)OP(=O)([O-])CN1CP(=O)(O)OP(=O)(O)C1
InChIInChI=1S/C6H18N2O15P6/c9-24(10)1-7(2-25(11,12)21-24)5-28(17,18)23-29(19,20)6-8-3-26(13,14)22-27(15,16)4-8/h1-6H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2
InChIKeyORDBCJMHRDMIEK-UHFFFAOYSA-L
XLogP-0.74
TPSA263.63 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.04
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate?
The IUPAC name of (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate (CID 123423670) is (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate.
What is the SMILES notation for (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate?
The canonical SMILES for (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate is O=P([O-])(CN1CP(=O)(O)OP(=O)(O)C1)OP(=O)([O-])CN1CP(=O)(O)OP(=O)(O)C1.
What is the InChIKey of (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate?
The InChIKey is ORDBCJMHRDMIEK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H18N2O15P6/c9-24(10)1-7(2-25(11,12)21-24)5-28(17,18)23-29(19,20)6-8-3-26(13,14)22-27(15,16)4-8/h1-6H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2.
What are the key properties of (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate?
(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate has a molecular weight of 542.04 g/mol, XLogP of -0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-[(2,6-dihydroxy-2,6-dioxo-1,4,2λ5,6λ5-oxazadiphosphinan-4-yl)methyl-oxidophosphoryl]oxyphosphinate is sourced from PubChem (CID 123423670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).