chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride

C62H99AgCl4F4IN10O18P4 — CID 158005130

IUPACchloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride
SMILESCC(C)(C)OP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(OCCl)OC(C)(C)C.Cc1cncnc1[C@H](C)[C@](O)(Cn1c[n+](COP(=O)(O)O)cn1)c1ccc(F)cc1F.Cc1cncnc1[C@H](C)[C@](O)(Cn1c[n+](COP(=O)(OC(C)(C)C)OC(C)(C)C)cn1)c1ccc(F)cc1F.ClCI.[Ag].[Cl-].[Cl-]
InChIInChI=1S/C26H37F2N5O5P.C18H20F2N5O5P.C9H20ClO4P.C8H19O4P.CH2ClI.Ag.2ClH/c1-18-12-29-14-30-23(18)19(2)26(34,21-10-9-20(27)11-22(21)28)13-33-16-32(15-31-33)17-36-39(35,37-24(3,4)5)38-25(6,7)8;1-12-6-21-8-22-17(12)13(2)18(26,15-4-3-14(19)5-16(15)20)7-25-10-24(9-23-25)11-30-31(27,28)29;1-8(2,3)13-15(11,12-7-10)14-9(4,5)6;1-7(2,3)11-13(9,10)12-8(4,5)6;2-1-3;;;/h9-12,14-16,19,34H,13,17H2,1-8H3;3-6,8-10,13,26H,7,11H2,1-2H3,(H-,27,28,29);7H2,1-6H3;1-6H3,(H,9,10);1H2;;2*1H/q+1;;;;;;;/p-1/t19-,26+;13-,18+;;;;;;/m00....../s1
InChIKeySGPISOMBZZRMAO-XDTATZAVSA-M
MW1849.00 g/mol
LogP8.53
Rot. Bonds24

About chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride

chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride (PubChem CID 158005130) has the molecular formula C62H99AgCl4F4IN10O18P4 and a molecular weight of 1849.00 g/mol. Its IUPAC name is chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride.

Molecular Properties

Compound Namechloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride
PubChem CID158005130
Molecular FormulaC62H99AgCl4F4IN10O18P4
Molecular Weight1849.00 g/mol
Exact Mass1845.29
IUPAC Namechloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride
SMILESCC(C)(C)OP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(OCCl)OC(C)(C)C.Cc1cncnc1[C@H](C)[C@](O)(Cn1c[n+](COP(=O)(O)O)cn1)c1ccc(F)cc1F.Cc1cncnc1[C@H](C)[C@](O)(Cn1c[n+](COP(=O)(OC(C)(C)C)OC(C)(C)C)cn1)c1ccc(F)cc1F.ClCI.[Ag].[Cl-].[Cl-]
InChIInChI=1S/C26H37F2N5O5P.C18H20F2N5O5P.C9H20ClO4P.C8H19O4P.CH2ClI.Ag.2ClH/c1-18-12-29-14-30-23(18)19(2)26(34,21-10-9-20(27)11-22(21)28)13-33-16-32(15-31-33)17-36-39(35,37-24(3,4)5)38-25(6,7)8;1-12-6-21-8-22-17(12)13(2)18(26,15-4-3-14(19)5-16(15)20)7-25-10-24(9-23-25)11-30-31(27,28)29;1-8(2,3)13-15(11,12-7-10)14-9(4,5)6;1-7(2,3)11-13(9,10)12-8(4,5)6;2-1-3;;;/h9-12,14-16,19,34H,13,17H2,1-8H3;3-6,8-10,13,26H,7,11H2,1-2H3,(H-,27,28,29);7H2,1-6H3;1-6H3,(H,9,10);1H2;;2*1H/q+1;;;;;;;/p-1/t19-,26+;13-,18+;;;;;;/m00....../s1
InChIKeySGPISOMBZZRMAO-XDTATZAVSA-M
XLogP8.53
TPSA347.46 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.00
LogP ≤ 58.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride with MolForge

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Related Compounds

[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate
CID 153297656
[1-[(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate
CID 153297648
2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;phosphoric acid
CID 75220054
chloro(dimethylphosphoryloxy)methane;[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-[4-[4-(methylideneamino)phenyl]-1,3-thiazol-2-yl]butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
CID 160729669
2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;phosphoric acid;trihydrate
CID 174692046
(2R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 16760226
2-[1-[1-[(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonylamino]acetic acid
CID 153297626
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;hydrochloride
CID 66546618
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;methane
CID 164966087
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;sulfuric acid
CID 66546620
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;3-hydroxy-3-methylpentanedioic acid
CID 23653254
(2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methylpyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 102357495

Frequently Asked Questions

What is the IUPAC name of chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride?
The IUPAC name of chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride (CID 158005130) is chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride.
What is the SMILES notation for chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride?
The canonical SMILES for chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride is CC(C)(C)OP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(OCCl)OC(C)(C)C.Cc1cncnc1[C@H](C)[C@](O)(Cn1c[n+](COP(=O)(O)O)cn1)c1ccc(F)cc1F.Cc1cncnc1[C@H](C)[C@](O)(Cn1c[n+](COP(=O)(OC(C)(C)C)OC(C)(C)C)cn1)c1ccc(F)cc1F.ClCI.[Ag].[Cl-].[Cl-].
What is the InChIKey of chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride?
The InChIKey is SGPISOMBZZRMAO-XDTATZAVSA-M. The full InChI is InChI=1S/C26H37F2N5O5P.C18H20F2N5O5P.C9H20ClO4P.C8H19O4P.CH2ClI.Ag.2ClH/c1-18-12-29-14-30-23(18)19(2)26(34,21-10-9-20(27)11-22(21)28)13-33-16-32(15-31-33)17-36-39(35,37-24(3,4)5)38-25(6,7)8;1-12-6-21-8-22-17(12)13(2)18(26,15-4-3-14(19)5-16(15)20)7-25-10-24(9-23-25)11-30-31(27,28)29;1-8(2,3)13-15(11,12-7-10)14-9(4,5)6;1-7(2,3)11-13(9,10)12-8(4,5)6;2-1-3;;;/h9-12,14-16,19,34H,13,17H2,1-8H3;3-6,8-10,13,26H,7,11H2,1-2H3,(H-,27,28,29);7H2,1-6H3;1-6H3,(H,9,10);1H2;;2*1H/q+1;;;;;;;/p-1/t19-,26+;13-,18+;;;;;;/m00....../s1.
What are the key properties of chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride?
chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride has a molecular weight of 1849.00 g/mol, XLogP of 8.53, 24 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl [1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl phosphate;ditert-butyl hydrogen phosphate;[1-[(2R,3S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(5-methylpyrimidin-4-yl)butyl]-1,2,4-triazol-4-ium-4-yl]methyl dihydrogen phosphate;silver;dichloride is sourced from PubChem (CID 158005130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).