3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one

C92H100N28O52P8S4 — CID 163879881

About 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one

3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one (PubChem CID 163879881) has the molecular formula C92H100N28O52P8S4 and a molecular weight of 2806.02 g/mol. Its IUPAC name is 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one
• PubChem CID: 163879881
• Molecular Formula: C92H100N28O52P8S4
• Molecular Weight: 2806.02 g/mol
• Exact Mass: 2804.28
• IUPAC Name: 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one
• SMILES: Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3ccccc3c2=O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6ccccc6c5=O)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@@H]4[C@H](O)[C@@H](COP(O)(=S)O[C@@H]2[C@@H]3O)O[C@H]4n2cnc3ccccc3c2=O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6ccccc6c5=O)O[C@@H]4COP(=O)(S)O[C@H]3[C@H]2O)c(=O)[nH]1
• InChI: InChI=1S/2C23H25N7O14P2.2C23H25N7O12P2S2/c24-23-27-18-13(19(33)28-23)26-8-29(18)22-17-14(31)11(41-22)5-39-45(35,36)43-16-12(6-40-46(37,38)44-17)42-21(15(16)32)30-7-25-10-4-2-1-3-9(10)20(30)34;24-23-27-18-13(19(33)28-23)26-8-29(18)21-15(32)16-12(42-21)6-40-46(37,38)44-17-14(31)11(5-39-45(35,36)43-16)41-22(17)30-7-25-10-4-2-1-3-9(10)20(30)34;24-23-27-18-13(19(33)28-23)26-8-29(18)21-14(31)16-11(39-21)5-37-44(36,46)42-17-12(6-38-43(35,45)41-16)40-22(15(17)32)30-7-25-10-4-2-1-3-9(10)20(30)34;24-23-27-18-13(19(33)28-23)26-8-29(18)21-16-14(31)11(39-21)5-37-44(36,46)42-17-15(32)12(6-38-43(35,45)41-16)40-22(17)30-7-25-10-4-2-1-3-9(10)20(30)34/h2*1-4,7-8,11-12,14-17,21-22,31-32H,5-6H2,(H,35,36)(H,37,38)(H3,24,27,28,33);2*1-4,7-8,11-12,14-17,21-22,31-32H,5-6H2,(H,35,45)(H,36,46)(H3,24,27,28,33)/t2*11-,12-,14-,15-,16-,17-,21-,22-;2*11-,12-,14-,15-,16-,17-,21-,22-,43?,44?/m1111/s1
• InChIKey: PSEZCKLSKTYWAS-YYZYVSRJSA-N
• XLogP: -4.13
• TPSA: 1108.24 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 72
• Rotatable Bonds: 8
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2806.02
LogP ≤ 5	-4.13
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one?

The IUPAC name of 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one (CID 163879881) is 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one.

What is the SMILES notation for 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one?

The canonical SMILES for 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one is Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3ccccc3c2=O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6ccccc6c5=O)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@@H]4[C@H](O)[C@@H](COP(O)(=S)O[C@@H]2[C@@H]3O)O[C@H]4n2cnc3ccccc3c2=O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n5cnc6ccccc6c5=O)O[C@@H]4COP(=O)(S)O[C@H]3[C@H]2O)c(=O)[nH]1.

What is the InChIKey of 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one?

The InChIKey is PSEZCKLSKTYWAS-YYZYVSRJSA-N. The full InChI is InChI=1S/2C23H25N7O14P2.2C23H25N7O12P2S2/c24-23-27-18-13(19(33)28-23)26-8-29(18)22-17-14(31)11(41-22)5-39-45(35,36)43-16-12(6-40-46(37,38)44-17)42-21(15(16)32)30-7-25-10-4-2-1-3-9(10)20(30)34;24-23-27-18-13(19(33)28-23)26-8-29(18)21-15(32)16-12(42-21)6-40-46(37,38)44-17-14(31)11(5-39-45(35,36)43-16)41-22(17)30-7-25-10-4-2-1-3-9(10)20(30)34;24-23-27-18-13(19(33)28-23)26-8-29(18)21-14(31)16-11(39-21)5-37-44(36,46)42-17-12(6-38-43(35,45)41-16)40-22(15(17)32)30-7-25-10-4-2-1-3-9(10)20(30)34;24-23-27-18-13(19(33)28-23)26-8-29(18)21-16-14(31)11(39-21)5-37-44(36,46)42-17-15(32)12(6-38-43(35,45)41-16)40-22(17)30-7-25-10-4-2-1-3-9(10)20(30)34/h2*1-4,7-8,11-12,14-17,21-22,31-32H,5-6H2,(H,35,36)(H,37,38)(H3,24,27,28,33);2*1-4,7-8,11-12,14-17,21-22,31-32H,5-6H2,(H,35,45)(H,36,46)(H3,24,27,28,33)/t2*11-,12-,14-,15-,16-,17-,21-,22-;2*11-,12-,14-,15-,16-,17-,21-,22-,43?,44?/m1111/s1.

What are the key properties of 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one?

3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one has a molecular weight of 2806.02 g/mol, XLogP of -4.13, 8 rotatable bonds, 24 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(2-amino-6-oxo-1H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-bis(sulfanylidene)-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]quinazolin-4-one;3-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]quinazolin-4-one;3-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]quinazolin-4-one is sourced from PubChem (CID 163879881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).