sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane

C173H223N18NaO32P4S2 — CID 158437495

IUPACsodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane
SMILESCCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@H](CO)Cn1ccc(N)nc1=O)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@H](COC)Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21)OCc1ccccc1.COC[C@@H](O)Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21.COC[C@H](Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21)OCP(=O)(O)OCc1ccccc1.Cc1ccc(S(=O)(=O)OCP(=O)([O-])OCc2ccccc2)cc1.S.[Na+]
InChIInChI=1S/C57H78N5O8P.C37H38N5O7P.C35H60N3O7P.C29H29N5O4.C15H17O6PS.Na.H2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-39-67-40-41-69-71(64,70-43-47-29-22-19-23-30-47)46-68-52(44-65-2)42-62-45-58-53-54(59-56(63)60-55(53)62)61-57(48-31-24-20-25-32-48,49-33-26-21-27-34-49)50-35-37-51(66-3)38-36-50;1-46-24-32(48-26-50(44,45)49-23-27-12-6-3-7-13-27)22-42-25-38-33-34(39-36(43)40-35(33)42)41-37(28-14-8-4-9-15-28,29-16-10-5-11-17-29)30-18-20-31(47-2)21-19-30;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-42-26-27-44-46(41,45-30-32-21-18-17-19-22-32)31-43-33(29-39)28-38-24-23-34(36)37-35(38)40;1-37-18-23(35)17-34-19-30-25-26(31-28(36)32-27(25)34)33-29(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-13-15-24(38-2)16-14-22;1-13-7-9-15(10-8-13)23(18,19)21-12-22(16,17)20-11-14-5-3-2-4-6-14;;/h19-27,29-38,45,52H,4-18,28,39-44,46H2,1-3H3,(H2,59,60,61,63);3-21,25,32H,22-24,26H2,1-2H3,(H,44,45)(H2,39,40,41,43);17-19,21-24,33,39H,2-16,20,25-31H2,1H3,(H2,36,37,40);3-16,19,23,35H,17-18H2,1-2H3,(H2,31,32,33,36);2-10H,11-12H2,1H3,(H,16,17);;1H2/q;;;;;+1;/p-1/t52-,71?;32-;33-,46?;23-;;;/m0000.../s1
InChIKeyMBANQBVHNBNSTK-AJJTZQHNSA-M
MW3277.80 g/mol
LogP30.10
Rot. Bonds100

About sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane

sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane (PubChem CID 158437495) has the molecular formula C173H223N18NaO32P4S2 and a molecular weight of 3277.80 g/mol. Its IUPAC name is sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane.

Molecular Properties

Compound Namesodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane
PubChem CID158437495
Molecular FormulaC173H223N18NaO32P4S2
Molecular Weight3277.80 g/mol
Exact Mass3275.47
IUPAC Namesodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane
SMILESCCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@H](CO)Cn1ccc(N)nc1=O)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@H](COC)Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21)OCc1ccccc1.COC[C@@H](O)Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21.COC[C@H](Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21)OCP(=O)(O)OCc1ccccc1.Cc1ccc(S(=O)(=O)OCP(=O)([O-])OCc2ccccc2)cc1.S.[Na+]
InChIInChI=1S/C57H78N5O8P.C37H38N5O7P.C35H60N3O7P.C29H29N5O4.C15H17O6PS.Na.H2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-39-67-40-41-69-71(64,70-43-47-29-22-19-23-30-47)46-68-52(44-65-2)42-62-45-58-53-54(59-56(63)60-55(53)62)61-57(48-31-24-20-25-32-48,49-33-26-21-27-34-49)50-35-37-51(66-3)38-36-50;1-46-24-32(48-26-50(44,45)49-23-27-12-6-3-7-13-27)22-42-25-38-33-34(39-36(43)40-35(33)42)41-37(28-14-8-4-9-15-28,29-16-10-5-11-17-29)30-18-20-31(47-2)21-19-30;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-42-26-27-44-46(41,45-30-32-21-18-17-19-22-32)31-43-33(29-39)28-38-24-23-34(36)37-35(38)40;1-37-18-23(35)17-34-19-30-25-26(31-28(36)32-27(25)34)33-29(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-13-15-24(38-2)16-14-22;1-13-7-9-15(10-8-13)23(18,19)21-12-22(16,17)20-11-14-5-3-2-4-6-14;;/h19-27,29-38,45,52H,4-18,28,39-44,46H2,1-3H3,(H2,59,60,61,63);3-21,25,32H,22-24,26H2,1-2H3,(H,44,45)(H2,39,40,41,43);17-19,21-24,33,39H,2-16,20,25-31H2,1H3,(H2,36,37,40);3-16,19,23,35H,17-18H2,1-2H3,(H2,31,32,33,36);2-10H,11-12H2,1H3,(H,16,17);;1H2/q;;;;;+1;/p-1/t52-,71?;32-;33-,46?;23-;;;/m0000.../s1
InChIKeyMBANQBVHNBNSTK-AJJTZQHNSA-M
XLogP30.10
TPSA640.02 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds100
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.80
LogP ≤ 530.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane with MolForge

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Related Compounds

1-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
CID 90429187
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinic acid
CID 74332149
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxy-2-phenylmethoxypropoxy)phosphinic acid
CID 11319842
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinic acid
CID 11578443
[(2S)-1-methoxy-3-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid
CID 90429188
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-butoxyphosphinic acid;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
CID 165066292
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexoxypropoxy)phosphinic acid
CID 144858397
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinate
CID 122198728
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-[(2R)-2-butoxy-3-methoxypropoxy]phosphinic acid
CID 88562073
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-dodecoxyphosphinic acid
CID 5272922
sodium;bis(4-amino-1-[(2R)-2-hydroxybutyl]pyrimidin-2-one);bis([(2R)-1-(4-amino-2-oxopyrimidin-1-yl)butan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid);[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid;6-amino-1H-pyrimidin-2-one;ethyl(3-hexadecoxypropoxy)phosphinate;(2R)-2-ethyloxirane
CID 158329904
4-amino-1-[2-[[(3-butoxy-2-phenylmethoxypropoxy)-(cyclohexa-1,5-dien-1-ylmethoxy)phosphoryl]methoxy]-3-hydroxypropyl]pyrimidin-2-one
CID 144706649

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane?
The IUPAC name of sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane (CID 158437495) is sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane.
What is the SMILES notation for sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane?
The canonical SMILES for sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane is CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@H](CO)Cn1ccc(N)nc1=O)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@H](COC)Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21)OCc1ccccc1.COC[C@@H](O)Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21.COC[C@H](Cn1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)[nH]c(=O)nc21)OCP(=O)(O)OCc1ccccc1.Cc1ccc(S(=O)(=O)OCP(=O)([O-])OCc2ccccc2)cc1.S.[Na+].
What is the InChIKey of sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane?
The InChIKey is MBANQBVHNBNSTK-AJJTZQHNSA-M. The full InChI is InChI=1S/C57H78N5O8P.C37H38N5O7P.C35H60N3O7P.C29H29N5O4.C15H17O6PS.Na.H2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-39-67-40-41-69-71(64,70-43-47-29-22-19-23-30-47)46-68-52(44-65-2)42-62-45-58-53-54(59-56(63)60-55(53)62)61-57(48-31-24-20-25-32-48,49-33-26-21-27-34-49)50-35-37-51(66-3)38-36-50;1-46-24-32(48-26-50(44,45)49-23-27-12-6-3-7-13-27)22-42-25-38-33-34(39-36(43)40-35(33)42)41-37(28-14-8-4-9-15-28,29-16-10-5-11-17-29)30-18-20-31(47-2)21-19-30;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-42-26-27-44-46(41,45-30-32-21-18-17-19-22-32)31-43-33(29-39)28-38-24-23-34(36)37-35(38)40;1-37-18-23(35)17-34-19-30-25-26(31-28(36)32-27(25)34)33-29(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-13-15-24(38-2)16-14-22;1-13-7-9-15(10-8-13)23(18,19)21-12-22(16,17)20-11-14-5-3-2-4-6-14;;/h19-27,29-38,45,52H,4-18,28,39-44,46H2,1-3H3,(H2,59,60,61,63);3-21,25,32H,22-24,26H2,1-2H3,(H,44,45)(H2,39,40,41,43);17-19,21-24,33,39H,2-16,20,25-31H2,1H3,(H2,36,37,40);3-16,19,23,35H,17-18H2,1-2H3,(H2,31,32,33,36);2-10H,11-12H2,1H3,(H,16,17);;1H2/q;;;;;+1;/p-1/t52-,71?;32-;33-,46?;23-;;;/m0000.../s1.
What are the key properties of sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane?
sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane has a molecular weight of 3277.80 g/mol, XLogP of 30.10, 100 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-1-[(2S)-3-hydroxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]pyrimidin-2-one;9-[(2S)-2-hydroxy-3-methoxypropyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;[(2S)-1-methoxy-3-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxo-1H-purin-9-yl]propan-2-yl]oxymethyl-phenylmethoxyphosphinic acid;9-[(2S)-3-methoxy-2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]propyl]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-2-one;(4-methylphenyl)sulfonyloxymethyl-phenylmethoxyphosphinate;sulfane is sourced from PubChem (CID 158437495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).