(carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium

C30H45Cl2FN7O9PS — CID 173259908

About (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium

(carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium (PubChem CID 173259908) has the molecular formula C30H45Cl2FN7O9PS and a molecular weight of 800.67 g/mol. Its IUPAC name is (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium.

Molecular Properties

• Compound Name: (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium
• PubChem CID: 173259908
• Molecular Formula: C30H45Cl2FN7O9PS
• Molecular Weight: 800.67 g/mol
• Exact Mass: 799.21
• IUPAC Name: (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium
• SMILES: CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O.CCNc1nc(Cl)nc(NCC)n1.C[S+](C)C.O=C(O)CNCP(=O)([O-])O
• InChI: InChI=1S/C17H17ClFNO4.C7H12ClN5.C3H8NO5P.C3H9S/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10;1-3-9-6-11-5(8)12-7(13-6)10-4-2;5-3(6)1-4-2-10(7,8)9;1-4(2)3/h7-8,10H,3-6H2,1-2H3;3-4H2,1-2H3,(H2,9,10,11,12,13);4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;;;+1/p-1
• InChIKey: VZVXSNDSKKQSJX-UHFFFAOYSA-M
• XLogP: 4.62
• TPSA: 228.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.67
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium?

The IUPAC name of (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium (CID 173259908) is (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium.

What is the SMILES notation for (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium?

The canonical SMILES for (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium is CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O.CCNc1nc(Cl)nc(NCC)n1.C[S+](C)C.O=C(O)CNCP(=O)([O-])O.

What is the InChIKey of (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium?

The InChIKey is VZVXSNDSKKQSJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17ClFNO4.C7H12ClN5.C3H8NO5P.C3H9S/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10;1-3-9-6-11-5(8)12-7(13-6)10-4-2;5-3(6)1-4-2-10(7,8)9;1-4(2)3/h7-8,10H,3-6H2,1-2H3;3-4H2,1-2H3,(H2,9,10,11,12,13);4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;;;+1/p-1.

What are the key properties of (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium?

(carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium has a molecular weight of 800.67 g/mol, XLogP of 4.62, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (carboxymethylamino)methyl-hydroxyphosphinate;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;trimethylsulfanium is sourced from PubChem (CID 173259908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).