[tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane

C78H145ClN7O24P7S4Si — CID 161295691

IUPAC[tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane
SMILESCOC(=O)C[C@@H](O)[C@H]1CCN(P)C1.COC(=O)C[C@H](O)[C@H]1CCN(P)C1.COC(=O)O[Si](C)(C)C(C)(C)C.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCC[C@@H](O)[C@H]2CCN(P)C2)cc1.Cc1ccc(S(=O)(=O)OCC[C@H](O)[C@H]2CCN(P)C2)cc1.O=C[C@H]1CCN(P)C1.OCC[C@@H](O)[C@H]1CCN(P)C1.OCC[C@H](O)[C@H]1CCN(P)C1.S
InChIInChI=1S/2C14H22NO4PS.2C8H16NO3P.C8H18O3Si.C7H7ClO2S.2C7H16NO2P.C5H10NOP.H2S/c2*1-11-2-4-13(5-3-11)21(17,18)19-9-7-14(16)12-6-8-15(20)10-12;2*1-12-8(11)4-7(10)6-2-3-9(13)5-6;1-8(2,3)12(5,6)11-7(9)10-4;1-6-2-4-7(5-3-6)11(8,9)10;2*9-4-2-7(10)6-1-3-8(11)5-6;7-4-5-1-2-6(8)3-5;/h2*2-5,12,14,16H,6-10,20H2,1H3;2*6-7,10H,2-5,13H2,1H3;1-6H3;2-5H,1H3;2*6-7,9-10H,1-5,11H2;4-5H,1-3,8H2;1H2/t12-,14+;12-,14-;6-,7+;6-,7-;;;6-,7+;6-,7-;5-;/m0000..000./s1
InChIKeyVGYCCPPSERNITA-CCZSDTHJSA-N
MW1973.67 g/mol
LogP7.96
Rot. Bonds27

About [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane

[tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane (PubChem CID 161295691) has the molecular formula C78H145ClN7O24P7S4Si and a molecular weight of 1973.67 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane
PubChem CID161295691
Molecular FormulaC78H145ClN7O24P7S4Si
Molecular Weight1973.67 g/mol
Exact Mass1971.68
IUPAC Name[tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane
SMILESCOC(=O)C[C@@H](O)[C@H]1CCN(P)C1.COC(=O)C[C@H](O)[C@H]1CCN(P)C1.COC(=O)O[Si](C)(C)C(C)(C)C.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCC[C@@H](O)[C@H]2CCN(P)C2)cc1.Cc1ccc(S(=O)(=O)OCC[C@H](O)[C@H]2CCN(P)C2)cc1.O=C[C@H]1CCN(P)C1.OCC[C@@H](O)[C@H]1CCN(P)C1.OCC[C@H](O)[C@H]1CCN(P)C1.S
InChIInChI=1S/2C14H22NO4PS.2C8H16NO3P.C8H18O3Si.C7H7ClO2S.2C7H16NO2P.C5H10NOP.H2S/c2*1-11-2-4-13(5-3-11)21(17,18)19-9-7-14(16)12-6-8-15(20)10-12;2*1-12-8(11)4-7(10)6-2-3-9(13)5-6;1-8(2,3)12(5,6)11-7(9)10-4;1-6-2-4-7(5-3-6)11(8,9)10;2*9-4-2-7(10)6-1-3-8(11)5-6;7-4-5-1-2-6(8)3-5;/h2*2-5,12,14,16H,6-10,20H2,1H3;2*6-7,10H,2-5,13H2,1H3;1-6H3;2-5H,1H3;2*6-7,9-10H,1-5,11H2;4-5H,1-3,8H2;1H2/t12-,14+;12-,14-;6-,7+;6-,7-;;;6-,7+;6-,7-;5-;/m0000..000./s1
InChIKeyVGYCCPPSERNITA-CCZSDTHJSA-N
XLogP7.96
TPSA410.60 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms122
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.67
LogP ≤ 57.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane?
The IUPAC name of [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane (CID 161295691) is [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane?
The canonical SMILES for [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane is COC(=O)C[C@@H](O)[C@H]1CCN(P)C1.COC(=O)C[C@H](O)[C@H]1CCN(P)C1.COC(=O)O[Si](C)(C)C(C)(C)C.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCC[C@@H](O)[C@H]2CCN(P)C2)cc1.Cc1ccc(S(=O)(=O)OCC[C@H](O)[C@H]2CCN(P)C2)cc1.O=C[C@H]1CCN(P)C1.OCC[C@@H](O)[C@H]1CCN(P)C1.OCC[C@H](O)[C@H]1CCN(P)C1.S.
What is the InChIKey of [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane?
The InChIKey is VGYCCPPSERNITA-CCZSDTHJSA-N. The full InChI is InChI=1S/2C14H22NO4PS.2C8H16NO3P.C8H18O3Si.C7H7ClO2S.2C7H16NO2P.C5H10NOP.H2S/c2*1-11-2-4-13(5-3-11)21(17,18)19-9-7-14(16)12-6-8-15(20)10-12;2*1-12-8(11)4-7(10)6-2-3-9(13)5-6;1-8(2,3)12(5,6)11-7(9)10-4;1-6-2-4-7(5-3-6)11(8,9)10;2*9-4-2-7(10)6-1-3-8(11)5-6;7-4-5-1-2-6(8)3-5;/h2*2-5,12,14,16H,6-10,20H2,1H3;2*6-7,10H,2-5,13H2,1H3;1-6H3;2-5H,1H3;2*6-7,9-10H,1-5,11H2;4-5H,1-3,8H2;1H2/t12-,14+;12-,14-;6-,7+;6-,7-;;;6-,7+;6-,7-;5-;/m0000..000./s1.
What are the key properties of [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane?
[tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane has a molecular weight of 1973.67 g/mol, XLogP of 7.96, 27 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] methyl carbonate;[(3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;[(3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propyl] 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;methyl (3S)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;methyl (3R)-3-hydroxy-3-[(3S)-1-phosphanylpyrrolidin-3-yl]propanoate;(3S)-1-phosphanylpyrrolidine-3-carbaldehyde;(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;(1R)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]propane-1,3-diol;sulfane is sourced from PubChem (CID 161295691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).