2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one

C80H87ClF4N36O42P8S9 — CID 164954680

About 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one

2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one (PubChem CID 164954680) has the molecular formula C80H87ClF4N36O42P8S9 and a molecular weight of 2872.63 g/mol. Its IUPAC name is 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one.

Molecular Properties

• Compound Name: 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
• PubChem CID: 164954680
• Molecular Formula: C80H87ClF4N36O42P8S9
• Molecular Weight: 2872.63 g/mol
• Exact Mass: 2870.08
• IUPAC Name: 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
• SMILES: Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](Cl)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C20H22ClN9O13P2.C20H21F2N9O9P2S3.2C20H22FN9O10P2S3/c21-8-12-7(41-18(8)29-4-25-9-14(29)23-3-24-16(9)32)2-39-45(36,37)43-13-11(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-10-15(30)27-20(22)28-17(10)33;21-8-7-2-37-42(35,44)39-12-6(38-18(9(12)22)30-4-26-10-14(30)24-3-25-16(10)32)1-36-41(34,43)40-13(8)19(45-7)31-5-27-11-15(31)28-20(23)29-17(11)33;2*21-8-12-6(38-18(8)29-4-25-9-14(29)23-3-24-16(9)32)1-36-41(34,43)40-13-11(31)7(2-37-42(35,44)39-12)45-19(13)30-5-26-10-15(30)27-20(22)28-17(10)33/h3-8,11-13,18-19,31H,1-2H2,(H,34,35)(H,36,37)(H,23,24,32)(H3,22,27,28,33);3-9,12-13,18-19H,1-2H2,(H,34,43)(H,35,44)(H,24,25,32)(H3,23,28,29,33);2*3-8,11-13,18-19,31H,1-2H2,(H,34,43)(H,35,44)(H,23,24,32)(H3,22,27,28,33)/t6-,7-,8+,11-,12-,13-,18-,19-;6-,7-,8+,9+,12-,13-,18-,19-,41?,42?;2*6-,7-,8+,11-,12-,13-,18-,19-,41?,42?/m1111/s1
• InChIKey: BABIYRRLENJFPB-WPNDFRPDSA-N
• XLogP: -1.70
• TPSA: 1059.98 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 71
• Rotatable Bonds: 8
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2872.63
LogP ≤ 5	-1.70
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

The IUPAC name of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one (CID 164954680) is 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one.

What is the SMILES notation for 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

The canonical SMILES for 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one is Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](Cl)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1.

What is the InChIKey of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

The InChIKey is BABIYRRLENJFPB-WPNDFRPDSA-N. The full InChI is InChI=1S/C20H22ClN9O13P2.C20H21F2N9O9P2S3.2C20H22FN9O10P2S3/c21-8-12-7(41-18(8)29-4-25-9-14(29)23-3-24-16(9)32)2-39-45(36,37)43-13-11(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-10-15(30)27-20(22)28-17(10)33;21-8-7-2-37-42(35,44)39-12-6(38-18(9(12)22)30-4-26-10-14(30)24-3-25-16(10)32)1-36-41(34,43)40-13(8)19(45-7)31-5-27-11-15(31)28-20(23)29-17(11)33;2*21-8-12-6(38-18(8)29-4-25-9-14(29)23-3-24-16(9)32)1-36-41(34,43)40-13-11(31)7(2-37-42(35,44)39-12)45-19(13)30-5-26-10-15(30)27-20(22)28-17(10)33/h3-8,11-13,18-19,31H,1-2H2,(H,34,35)(H,36,37)(H,23,24,32)(H3,22,27,28,33);3-9,12-13,18-19H,1-2H2,(H,34,43)(H,35,44)(H,24,25,32)(H3,23,28,29,33);2*3-8,11-13,18-19,31H,1-2H2,(H,34,43)(H,35,44)(H,23,24,32)(H3,22,27,28,33)/t6-,7-,8+,11-,12-,13-,18-,19-;6-,7-,8+,9+,12-,13-,18-,19-,41?,42?;2*6-,7-,8+,11-,12-,13-,18-,19-,41?,42?/m1111/s1.

What are the key properties of 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one?

2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one has a molecular weight of 2872.63 g/mol, XLogP of -1.70, 8 rotatable bonds, 23 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9-chloro-3,12,18-trihydroxy-3,12-dioxo-8-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18R)-9,18-difluoro-3,12-dihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-12,18-dihydroxy-3-oxo-8-(6-oxo-1H-purin-9-yl)-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,9S,10R,15R,17R,18S)-9-fluoro-3,12,18-trihydroxy-8-(6-oxo-1H-purin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one is sourced from PubChem (CID 164954680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).