(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate

C7H13O7P — CID 22259480

IUPAC(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CO)COP(=O)(O)O
InChIInChI=1S/C7H13O7P/c1-5(2)7(9)14-6(3-8)4-13-15(10,11)12/h6,8H,1,3-4H2,2H3,(H2,10,11,12)
InChIKeyRLAJFKHLYGOPKT-UHFFFAOYSA-N
MW240.15 g/mol
LogP-0.42
Rot. Bonds6

About (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate

(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate (PubChem CID 22259480) has the molecular formula C7H13O7P and a molecular weight of 240.15 g/mol. Its IUPAC name is (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
PubChem CID22259480
Molecular FormulaC7H13O7P
Molecular Weight240.15 g/mol
Exact Mass240.04
IUPAC Name(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CO)COP(=O)(O)O
InChIInChI=1S/C7H13O7P/c1-5(2)7(9)14-6(3-8)4-13-15(10,11)12/h6,8H,1,3-4H2,2H3,(H2,10,11,12)
InChIKeyRLAJFKHLYGOPKT-UHFFFAOYSA-N
XLogP-0.42
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-phosphonooxypentan-2-yl 2-methylprop-2-enoate
CID 141037886
[9-(2-methylprop-2-enoyloxy)-10-phosphonooxydecyl] 2-methylprop-2-enoate
CID 175000234
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
(4,4-dibutoxy-1-phosphonooxybutan-2-yl) 2-methylprop-2-enoate
CID 174752155
(4-ethyl-1-phosphonooxyoctan-2-yl) 2-methylprop-2-enoate
CID 90186290
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312
2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid
CID 151668958
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 102099810
(1-chloro-3-phosphonooxypropyl) 2-methylprop-2-enoate
CID 87184704
[1-hydroxy-3-(3-methylsulfanylpropoxy)propan-2-yl] 2-methylprop-2-enoate
CID 89274817
[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
(5,5,5-trifluoro-1-hydroxypentan-2-yl) 2-methylprop-2-enoate
CID 139913005

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate (CID 22259480) is (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(CO)COP(=O)(O)O.
What is the InChIKey of (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate?
The InChIKey is RLAJFKHLYGOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O7P/c1-5(2)7(9)14-6(3-8)4-13-15(10,11)12/h6,8H,1,3-4H2,2H3,(H2,10,11,12).
What are the key properties of (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate?
(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate has a molecular weight of 240.15 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 22259480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).