9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine

C55H96N28O19P4Si2-2 — CID 158986915

About 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine

9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine (PubChem CID 158986915) has the molecular formula C55H96N28O19P4Si2-2 and a molecular weight of 1633.62 g/mol. Its IUPAC name is 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine.

Molecular Properties

• Compound Name: 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine
• PubChem CID: 158986915
• Molecular Formula: C55H96N28O19P4Si2-2
• Molecular Weight: 1633.62 g/mol
• Exact Mass: 1632.59
• IUPAC Name: 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2NP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3NP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.CN.CN.C[C@@H]1[C@@H]2NP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3NP(=O)([O-])OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.N.N
• InChI: InChI=1S/C27H42N12O9P2Si.C26H40N12O10P2Si.2CH5N.2H3N/c1-13-16-14(46-25(13)38-11-34-18-21(28)30-9-32-23(18)38)7-44-50(42,43)37-17-15(8-45-49(40,41)36-16)47-26(20(17)48-51(5,6)27(2,3)4)39-12-35-19-22(29)31-10-33-24(19)39;1-26(2,3)51(4,5)48-19-15-13(47-25(19)38-11-34-17-21(28)30-9-32-23(17)38)7-45-49(40,41)35-14-12(6-44-50(42,43)36-15)46-24(18(14)39)37-10-33-16-20(27)29-8-31-22(16)37;2*1-2;;/h9-17,20,25-26H,7-8H2,1-6H3,(H2,28,30,32)(H2,29,31,33)(H2,36,40,41)(H2,37,42,43);8-15,18-19,24-25,39H,6-7H2,1-5H3,(H2,27,29,31)(H2,28,30,32)(H2,35,40,41)(H2,36,42,43);2*2H2,1H3;2*1H3/p-2/t13-,14-,15-,16+,17-,20-,25-,26-;12-,13-,14-,15-,18-,19-,24-,25-;;;;/m11..../s1
• InChIKey: OEBHMMLQEFTCMX-VNACEUBKSA-L
• XLogP: 0.57
• TPSA: 716.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1633.62
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine?

The IUPAC name of 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine (CID 158986915) is 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine.

What is the SMILES notation for 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine?

The canonical SMILES for 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2NP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3NP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.CN.CN.C[C@@H]1[C@@H]2NP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3NP(=O)([O-])OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.N.N.

What is the InChIKey of 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine?

The InChIKey is OEBHMMLQEFTCMX-VNACEUBKSA-L. The full InChI is InChI=1S/C27H42N12O9P2Si.C26H40N12O10P2Si.2CH5N.2H3N/c1-13-16-14(46-25(13)38-11-34-18-21(28)30-9-32-23(18)38)7-44-50(42,43)37-17-15(8-45-49(40,41)36-16)47-26(20(17)48-51(5,6)27(2,3)4)39-12-35-19-22(29)31-10-33-24(19)39;1-26(2,3)51(4,5)48-19-15-13(47-25(19)38-11-34-17-21(28)30-9-32-23(17)38)7-45-49(40,41)35-14-12(6-44-50(42,43)36-15)46-24(18(14)39)37-10-33-16-20(27)29-8-31-22(16)37;2*1-2;;/h9-17,20,25-26H,7-8H2,1-6H3,(H2,28,30,32)(H2,29,31,33)(H2,36,40,41)(H2,37,42,43);8-15,18-19,24-25,39H,6-7H2,1-5H3,(H2,27,29,31)(H2,28,30,32)(H2,35,40,41)(H2,36,42,43);2*2H2,1H3;2*1H3/p-2/t13-,14-,15-,16+,17-,20-,25-,26-;12-,13-,14-,15-,18-,19-,24-,25-;;;;/m11..../s1.

What are the key properties of 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine?

9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine has a molecular weight of 1633.62 g/mol, XLogP of 0.57, 8 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(1R,6S,8R,9R,10S,15S,17R,18R)-17-(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-9-methyl-3,12-dioxido-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;azane;(1R,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-9-ol;methanamine is sourced from PubChem (CID 158986915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).