[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate

C3H11O10P3 — CID 59471512

IUPAC[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C3H11O10P3/c1-3(2)11-15(7,8)13-16(9,10)12-14(4,5)6/h3H,1-2H3,(H,7,8)(H,9,10)(H2,4,5,6)
InChIKeyFHOOEGIEHZJDMR-UHFFFAOYSA-N
MW300.03 g/mol
LogP0.74
Rot. Bonds6

About [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate

[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate (PubChem CID 59471512) has the molecular formula C3H11O10P3 and a molecular weight of 300.03 g/mol. Its IUPAC name is [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate.

Molecular Properties

Compound Name[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
PubChem CID59471512
Molecular FormulaC3H11O10P3
Molecular Weight300.03 g/mol
Exact Mass299.96
IUPAC Name[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C3H11O10P3/c1-3(2)11-15(7,8)13-16(9,10)12-14(4,5)6/h3H,1-2H3,(H,7,8)(H,9,10)(H2,4,5,6)
InChIKeyFHOOEGIEHZJDMR-UHFFFAOYSA-N
XLogP0.74
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate;methane;phosphono propan-2-yl hydrogen phosphate;propan-2-yl dihydrogen phosphate
CID 161098585
[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] dipropan-2-yl phosphate
CID 139957076
[1-aminoethoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
CID 57267025
[hydroxy(phosphonooxy)phosphinothioyl] propan-2-yl hydrogen phosphate
CID 59471498
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
1,2-diaminopropyl phosphono hydrogen phosphate
CID 118556685
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
CID 170843855
CID 170843855
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate?
The IUPAC name of [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate (CID 59471512) is [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate.
What is the SMILES notation for [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate?
The canonical SMILES for [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate is CC(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate?
The InChIKey is FHOOEGIEHZJDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11O10P3/c1-3(2)11-15(7,8)13-16(9,10)12-14(4,5)6/h3H,1-2H3,(H,7,8)(H,9,10)(H2,4,5,6).
What are the key properties of [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate?
[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate has a molecular weight of 300.03 g/mol, XLogP of 0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate is sourced from PubChem (CID 59471512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).