1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate

C8H15O7P — CID 153444400

IUPAC1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
SMILESCC(CO)OC(=O)OC(C)COC(=O)OP
InChIInChI=1S/C8H15O7P/c1-5(3-9)13-8(11)14-6(2)4-12-7(10)15-16/h5-6,9H,3-4,16H2,1-2H3
InChIKeyBVHFJSKZKXILRT-UHFFFAOYSA-N
MW254.17 g/mol
LogP0.85
Rot. Bonds5

About 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate

1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate (PubChem CID 153444400) has the molecular formula C8H15O7P and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
PubChem CID153444400
Molecular FormulaC8H15O7P
Molecular Weight254.17 g/mol
Exact Mass254.06
IUPAC Name1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
SMILESCC(CO)OC(=O)OC(C)COC(=O)OP
InChIInChI=1S/C8H15O7P/c1-5(3-9)13-8(11)14-6(2)4-12-7(10)15-16/h5-6,9H,3-4,16H2,1-2H3
InChIKeyBVHFJSKZKXILRT-UHFFFAOYSA-N
XLogP0.85
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate 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

bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
tert-butyl 1-(1-hydroxypropan-2-yloxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(1-hydroxypropan-2-yloxycarbonyloxy)propyl carbonate;tert-butyl 1-(2-hydroxypropoxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(2-hydroxypropoxycarbonyloxy)propyl carbonate
CID 158897155
2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
CID 58422700
dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol
CID 161167335
1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate
CID 130266239
bis(1-hydroperoxypropan-2-yl) carbonate
CID 174639053
1-O-[1-(1-hydroxypropan-2-yloxycarbonyloxy)propan-2-yl] 5-O-methyl 4-bromo-2,2,4-trimethylpentanedioate
CID 155655819
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
1-O-[2-(2-hydroxypropoxycarbonyloxy)propyl] 3-O-[2-(2-methoxypropoxycarbonyloxy)propyl] propanedioate
CID 88542811
2-[3-hydroxy-2-(2-hydroxypropoxy)propoxy]carbonyloxypropyl [2-(2-hydroxypropoxy)-3-methoxypropyl] carbonate
CID 18965870
1-hydroxypropan-2-yl 2-bromo-2-hydroxyacetate
CID 3023842
[3-hydroxy-2-(hydroxymethyl)propyl] 2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propyl carbonate
CID 58205591

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate?
The IUPAC name of 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate (CID 153444400) is 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate.
What is the SMILES notation for 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate?
The canonical SMILES for 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate is CC(CO)OC(=O)OC(C)COC(=O)OP.
What is the InChIKey of 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate?
The InChIKey is BVHFJSKZKXILRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O7P/c1-5(3-9)13-8(11)14-6(2)4-12-7(10)15-16/h5-6,9H,3-4,16H2,1-2H3.
What are the key properties of 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate?
1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate has a molecular weight of 254.17 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate is sourced from PubChem (CID 153444400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).