(2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate

C2H2O9P2 — CID 175202282

IUPAC(2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate
SMILESO=C1OP(=O)(OP(=O)(O)O)OC1=O
InChIInChI=1S/C2H2O9P2/c3-1-2(4)10-13(8,9-1)11-12(5,6)7/h(H2,5,6,7)
InChIKeyPSTFWOCHECSRGH-UHFFFAOYSA-N
MW231.98 g/mol
LogP-0.70
Rot. Bonds2

About (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate

(2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate (PubChem CID 175202282) has the molecular formula C2H2O9P2 and a molecular weight of 231.98 g/mol. Its IUPAC name is (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate
PubChem CID175202282
Molecular FormulaC2H2O9P2
Molecular Weight231.98 g/mol
Exact Mass231.92
IUPAC Name(2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate
SMILESO=C1OP(=O)(OP(=O)(O)O)OC1=O
InChIInChI=1S/C2H2O9P2/c3-1-2(4)10-13(8,9-1)11-12(5,6)7/h(H2,5,6,7)
InChIKeyPSTFWOCHECSRGH-UHFFFAOYSA-N
XLogP-0.70
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.98
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[9-(3-chloropropyl)-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nona-1(9),5,7-trien-3-yl] dihydrogen phosphate
CID 150524215
azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate
CID 175582994
(4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinin-2-yl) dihydrogen phosphate
CID 150700339
(4,5-dioxo-1,3,2-dioxalumolan-2-yl) dihydrogen phosphate
CID 139822733
[4-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphetan-2-yl] dihydrogen phosphate;tris(tetrabutylazanium)
CID 175417680
3-chloro-11-dichlorophosphoryloxy-2,4,10,12-tetraoxa-3λ5,11λ5-diphosphatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene 3,11-dioxide
CID 142711299
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
ethene;fluoro dihydrogen phosphate
CID 87187087
(3,3-dihydroxy-1,2,3λ5-dioxaphosphiran-3-yl) dihydrogen phosphate
CID 174539504
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate?
The IUPAC name of (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate (CID 175202282) is (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate.
What is the SMILES notation for (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate?
The canonical SMILES for (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate is O=C1OP(=O)(OP(=O)(O)O)OC1=O.
What is the InChIKey of (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate?
The InChIKey is PSTFWOCHECSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O9P2/c3-1-2(4)10-13(8,9-1)11-12(5,6)7/h(H2,5,6,7).
What are the key properties of (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate?
(2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate has a molecular weight of 231.98 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trioxo-1,3,2λ5-dioxaphospholan-2-yl) dihydrogen phosphate is sourced from PubChem (CID 175202282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).