[[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine

C123H179ClF3N17O38P7S13+ — CID 159498596

About [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine

[[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine (PubChem CID 159498596) has the molecular formula C123H179ClF3N17O38P7S13+ and a molecular weight of 3230.00 g/mol. Its IUPAC name is [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine.

Molecular Properties

• Compound Name: [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine
• PubChem CID: 159498596
• Molecular Formula: C123H179ClF3N17O38P7S13+
• Molecular Weight: 3230.00 g/mol
• Exact Mass: 3226.68
• IUPAC Name: [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine
• SMILES: C.CC(C)(C)SSCOC1C[C@H](n2cc(C#CCOCSSC(C)(C)CN)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O.CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)CCC(C)(C)SSCOCC#Cc3cn([C@H]4CC(OCSSC(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4)c4nc(N)[nH]c(=O)c34)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21.CN(C)C=Nc1nc2c(c(C#CCOCSSC(C)(C)CCC(=O)C(F)(F)F)cn2[C@H]2CC(OCSSC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]1.CNS.O=C1OP(Cl)Oc2ccccc21
• InChI: InChI=1S/C60H83N6O15P3S4.C30H42F3N5O6S4.C24H40N5O14P3S4.C7H4ClO3P.CH5NS.CH4/c1-13-64-46-27-25-40(2)33-44(46)59(9,10)50(64)23-17-14-18-24-51-60(11,12)45-34-41(3)26-28-47(45)65(51)31-19-15-16-22-43(67)29-30-58(7,8)88-85-38-76-32-20-21-42-36-66(54-53(42)55(68)63-56(61)62-54)52-35-48(77-39-86-87-57(4,5)6)49(79-52)37-78-83(72,73)81-84(74,75)80-82(69,70)71;1-28(2,3)47-46-18-43-20-13-23(44-21(20)15-39)38-14-19(24-25(38)35-27(36-26(24)41)34-16-37(6)7)9-8-12-42-17-45-48-29(4,5)11-10-22(40)30(31,32)33;1-23(2,3)49-48-14-39-16-9-18(41-17(16)11-40-45(34,35)43-46(36,37)42-44(31,32)33)29-10-15(19-20(29)27-22(26)28-21(19)30)7-6-8-38-13-47-50-24(4,5)12-25;8-12-10-6-4-2-1-3-5(6)7(9)11-12;1-2-3;/h14,17-18,23-28,33-34,36,48-49,52H,13,15-16,19,22,29-32,35,37-39H2,1-12H3,(H6-,61,62,63,68,69,70,71,72,73,74,75);14,16,20-21,23,39H,10-13,15,17-18H2,1-7H3,(H,35,36,41);10,16-18H,8-9,11-14,25H2,1-5H3,(H,34,35)(H,36,37)(H2,31,32,33)(H3,26,27,28,30);1-4H;2-3H,1H3;1H4/p+1/t48?,49-,52-;20?,21-,23-;16?,17-,18-;;;/m111.../s1
• InChIKey: ICLQGMMKSGFIAD-DAYYLAHESA-O
• XLogP: 26.80
• TPSA: 756.59 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 55
• Rotatable Bonds: 64
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3230.00
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine?

The IUPAC name of [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine (CID 159498596) is [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine.

What is the SMILES notation for [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine?

The canonical SMILES for [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine is C.CC(C)(C)SSCOC1C[C@H](n2cc(C#CCOCSSC(C)(C)CN)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O.CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)CCC(C)(C)SSCOCC#Cc3cn([C@H]4CC(OCSSC(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4)c4nc(N)[nH]c(=O)c34)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21.CN(C)C=Nc1nc2c(c(C#CCOCSSC(C)(C)CCC(=O)C(F)(F)F)cn2[C@H]2CC(OCSSC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]1.CNS.O=C1OP(Cl)Oc2ccccc21.

What is the InChIKey of [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine?

The InChIKey is ICLQGMMKSGFIAD-DAYYLAHESA-O. The full InChI is InChI=1S/C60H83N6O15P3S4.C30H42F3N5O6S4.C24H40N5O14P3S4.C7H4ClO3P.CH5NS.CH4/c1-13-64-46-27-25-40(2)33-44(46)59(9,10)50(64)23-17-14-18-24-51-60(11,12)45-34-41(3)26-28-47(45)65(51)31-19-15-16-22-43(67)29-30-58(7,8)88-85-38-76-32-20-21-42-36-66(54-53(42)55(68)63-56(61)62-54)52-35-48(77-39-86-87-57(4,5)6)49(79-52)37-78-83(72,73)81-84(74,75)80-82(69,70)71;1-28(2,3)47-46-18-43-20-13-23(44-21(20)15-39)38-14-19(24-25(38)35-27(36-26(24)41)34-16-37(6)7)9-8-12-42-17-45-48-29(4,5)11-10-22(40)30(31,32)33;1-23(2,3)49-48-14-39-16-9-18(41-17(16)11-40-45(34,35)43-46(36,37)42-44(31,32)33)29-10-15(19-20(29)27-22(26)28-21(19)30)7-6-8-38-13-47-50-24(4,5)12-25;8-12-10-6-4-2-1-3-5(6)7(9)11-12;1-2-3;/h14,17-18,23-28,33-34,36,48-49,52H,13,15-16,19,22,29-32,35,37-39H2,1-12H3,(H6-,61,62,63,68,69,70,71,72,73,74,75);14,16,20-21,23,39H,10-13,15,17-18H2,1-7H3,(H,35,36,41);10,16-18H,8-9,11-14,25H2,1-5H3,(H,34,35)(H,36,37)(H2,31,32,33)(H3,26,27,28,30);1-4H;2-3H,1H3;1H4/p+1/t48?,49-,52-;20?,21-,23-;16?,17-,18-;;;/m111.../s1.

What are the key properties of [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine?

[[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine has a molecular weight of 3230.00 g/mol, XLogP of 26.80, 64 rotatable bonds, 17 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,5R)-5-[2-amino-5-[3-[[(1-amino-2-methylpropan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2-amino-5-[3-[[[10-[2-[(1E,3E,5E)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2-methyl-5-oxodecan-2-yl]disulfanyl]methoxy]prop-1-ynyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-[(tert-butyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N'-[7-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-5-[3-[[(6,6,6-trifluoro-2-methyl-5-oxohexan-2-yl)disulfanyl]methoxy]prop-1-ynyl]-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide;2-chloro-1,3,2-benzodioxaphosphinin-4-one;methane;N-methylthiohydroxylamine is sourced from PubChem (CID 159498596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).