2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate

C29H28O9 — CID 159239644

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C23H20O2.C6H8O7/c1-18(2)22(24)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-17H,1H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyKTXMQJDIJIJWND-UHFFFAOYSA-N
MW520.53 g/mol
LogP3.85
Rot. Bonds10

About 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate

2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate (PubChem CID 159239644) has the molecular formula C29H28O9 and a molecular weight of 520.53 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate
PubChem CID159239644
Molecular FormulaC29H28O9
Molecular Weight520.53 g/mol
Exact Mass520.17
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C23H20O2.C6H8O7/c1-18(2)22(24)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-17H,1H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyKTXMQJDIJIJWND-UHFFFAOYSA-N
XLogP3.85
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.53
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
ethane;isocyanic acid;trityl 2-methylprop-2-enoate
CID 174509512
1-O-acetyl 2-O-(2-methylprop-2-enoyl) 3-O-trityl 2-hydroxypropane-1,2,3-tricarboxylate
CID 174813629
2-hydroxypropane-1,2,3-tricarboxylic acid;bis(2-methylprop-2-enoic acid)
CID 87330059
tris(4-methylphenyl) phosphate;trityl 2-methylprop-2-enoate
CID 174432388
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
2-hydroxy-2-[2-oxo-2-(triphenyl-λ4-sulfanyl)oxyethyl]butanedioic acid
CID 66598523
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 172800444
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;λ2-plumbane
CID 173011758

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate (CID 159239644) is 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate?
The InChIKey is KTXMQJDIJIJWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2.C6H8O7/c1-18(2)22(24)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-17H,1H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate?
2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate has a molecular weight of 520.53 g/mol, XLogP of 3.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate is sourced from PubChem (CID 159239644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).