[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate

C3H11O11P3 — CID 151699028

IUPAC[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
SMILESCOCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C3H11O11P3/c1-11-2-3-12-16(7,8)14-17(9,10)13-15(4,5)6/h2-3H2,1H3,(H,7,8)(H,9,10)(H2,4,5,6)
InChIKeyREEMTOVIZAYRDQ-UHFFFAOYSA-N
MW316.03 g/mol
LogP-0.02
Rot. Bonds8

About [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate

[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate (PubChem CID 151699028) has the molecular formula C3H11O11P3 and a molecular weight of 316.03 g/mol. Its IUPAC name is [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
PubChem CID151699028
Molecular FormulaC3H11O11P3
Molecular Weight316.03 g/mol
Exact Mass315.95
IUPAC Name[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
SMILESCOCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C3H11O11P3/c1-11-2-3-12-16(7,8)14-17(9,10)13-15(4,5)6/h2-3H2,1H3,(H,7,8)(H,9,10)(H2,4,5,6)
InChIKeyREEMTOVIZAYRDQ-UHFFFAOYSA-N
XLogP-0.02
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.03
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[butoxy(hydroxy)phosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 139957070
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
butyl phosphono hydrogen phosphate
CID 22278195
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
[hydroxy(8-methylnonoxy)phosphoryl] phosphono hydrogen phosphate
CID 141159700
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
2-chloroethyl phosphono hydrogen phosphate;phosphono dihydrogen phosphate
CID 118451812
diethyl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate
CID 139957080
(3-hydroxy-3-methylbutyl) phosphono hydrogen phosphate;hydrobromide
CID 5289334
CID 170843855
CID 170843855

Frequently Asked Questions

What is the IUPAC name of [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate (CID 151699028) is [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate is COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate?
The InChIKey is REEMTOVIZAYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11O11P3/c1-11-2-3-12-16(7,8)14-17(9,10)13-15(4,5)6/h2-3H2,1H3,(H,7,8)(H,9,10)(H2,4,5,6).
What are the key properties of [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate?
[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate has a molecular weight of 316.03 g/mol, XLogP of -0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 151699028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).