tris[(2R)-2-chloropropyl] phosphate

C9H18Cl3O4P — CID 91865019

IUPACtris[(2R)-2-chloropropyl] phosphate
SMILESC[C@@H](Cl)COP(=O)(OC[C@@H](C)Cl)OC[C@@H](C)Cl
InChIInChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyGTRSAMFYSUBAGN-IWSPIJDZSA-N
MW327.57 g/mol
LogP4.03
Rot. Bonds9

About tris[(2R)-2-chloropropyl] phosphate

tris[(2R)-2-chloropropyl] phosphate (PubChem CID 91865019) has the molecular formula C9H18Cl3O4P and a molecular weight of 327.57 g/mol. Its IUPAC name is tris[(2R)-2-chloropropyl] phosphate.

Molecular Properties

Compound Nametris[(2R)-2-chloropropyl] phosphate
PubChem CID91865019
Molecular FormulaC9H18Cl3O4P
Molecular Weight327.57 g/mol
Exact Mass326.00
IUPAC Nametris[(2R)-2-chloropropyl] phosphate
SMILESC[C@@H](Cl)COP(=O)(OC[C@@H](C)Cl)OC[C@@H](C)Cl
InChIInChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyGTRSAMFYSUBAGN-IWSPIJDZSA-N
XLogP4.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-bromopropyl) 2-chloropropyl phosphate
CID 71364134
bis(2-chloropropyl) propyl phosphate
CID 142724190
tris(2-methoxypropyl) phosphate
CID 88697262
1-chloropropan-2-yl 2-chloropropyl hydrogen phosphate
CID 169434590
bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate
CID 3030000
chloro methyl 2-methylpropyl phosphate
CID 118608255
tris[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl] phosphate
CID 169445617
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
(2R)-2-chloro-1-methoxypropane
CID 94475219
bis(2-methylpropyl) pentyl phosphate
CID 54560421
bis(2-methylpropyl) (1,1,3-trichloro-2,2-dimethylpropyl) phosphate
CID 87778288
tris[(2R)-2,3-dibromopropyl] phosphate
CID 76964191

Frequently Asked Questions

What is the IUPAC name of tris[(2R)-2-chloropropyl] phosphate?
The IUPAC name of tris[(2R)-2-chloropropyl] phosphate (CID 91865019) is tris[(2R)-2-chloropropyl] phosphate.
What is the SMILES notation for tris[(2R)-2-chloropropyl] phosphate?
The canonical SMILES for tris[(2R)-2-chloropropyl] phosphate is C[C@@H](Cl)COP(=O)(OC[C@@H](C)Cl)OC[C@@H](C)Cl.
What is the InChIKey of tris[(2R)-2-chloropropyl] phosphate?
The InChIKey is GTRSAMFYSUBAGN-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of tris[(2R)-2-chloropropyl] phosphate?
tris[(2R)-2-chloropropyl] phosphate has a molecular weight of 327.57 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2R)-2-chloropropyl] phosphate is sourced from PubChem (CID 91865019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).