8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane

C63H100N16O14P4S2 — CID 159710003

About 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane

8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane (PubChem CID 159710003) has the molecular formula C63H100N16O14P4S2 and a molecular weight of 1493.62 g/mol. Its IUPAC name is 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane.

Molecular Properties

• Compound Name: 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane
• PubChem CID: 159710003
• Molecular Formula: C63H100N16O14P4S2
• Molecular Weight: 1493.62 g/mol
• Exact Mass: 1492.60
• IUPAC Name: 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane
• SMILES: C.C=P(C)(C)CC[C@H]1O[C@@H](n2c(N)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc3c(=S)nc(C)[nH]c32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(=O)n(C)c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(=S)nc(C)[nH]c32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C16H25N4O4P.C16H24N3O3PS.C15H24N5O4P.C15H23N4O3PS.CH4/c1-9-18-14-11(15(23)19(9)2)17-8-20(14)16-13(22)12(21)10(24-16)6-7-25(3,4)5;1-9-17-14-10(15(24)18-9)5-7-19(14)16-13(21)12(20)11(22-16)6-8-23(2,3)4;1-7-17-12-9(13(23)18-7)19-15(16)20(12)14-11(22)10(21)8(24-14)5-6-25(2,3)4;1-8-17-13-10(14(24)18-8)16-7-19(13)15-12(21)11(20)9(22-15)5-6-23(2,3)4;/h8,10,12-13,16,21-22H,3,6-7H2,1-2,4-5H3;5,7,11-13,16,20-21H,2,6,8H2,1,3-4H3,(H,17,18,24);8,10-11,14,21-22H,2,5-6H2,1,3-4H3,(H2,16,19)(H,17,18,23);7,9,11-12,15,20-21H,2,5-6H2,1,3-4H3,(H,17,18,24);1H4/t10-,12-,13-,16-;11-,12-,13-,16-;8-,10-,11-,14-;9-,11-,12-,15-;/m1111./s1
• InChIKey: MYSGCIGYOOLIJQ-UBQVYLGUSA-N
• XLogP: 4.16
• TPSA: 421.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.62
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane?

The IUPAC name of 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane (CID 159710003) is 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane.

What is the SMILES notation for 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane?

The canonical SMILES for 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane is C.C=P(C)(C)CC[C@H]1O[C@@H](n2c(N)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc3c(=S)nc(C)[nH]c32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(=O)n(C)c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2cnc3c(=S)nc(C)[nH]c32)[C@H](O)[C@@H]1O.

What is the InChIKey of 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane?

The InChIKey is MYSGCIGYOOLIJQ-UBQVYLGUSA-N. The full InChI is InChI=1S/C16H25N4O4P.C16H24N3O3PS.C15H24N5O4P.C15H23N4O3PS.CH4/c1-9-18-14-11(15(23)19(9)2)17-8-20(14)16-13(22)12(21)10(24-16)6-7-25(3,4)5;1-9-17-14-10(15(24)18-9)5-7-19(14)16-13(21)12(20)11(22-16)6-8-23(2,3)4;1-7-17-12-9(13(23)18-7)19-15(16)20(12)14-11(22)10(21)8(24-14)5-6-25(2,3)4;1-8-17-13-10(14(24)18-8)16-7-19(13)15-12(21)11(20)9(22-15)5-6-23(2,3)4;/h8,10,12-13,16,21-22H,3,6-7H2,1-2,4-5H3;5,7,11-13,16,20-21H,2,6,8H2,1,3-4H3,(H,17,18,24);8,10-11,14,21-22H,2,5-6H2,1,3-4H3,(H2,16,19)(H,17,18,23);7,9,11-12,15,20-21H,2,5-6H2,1,3-4H3,(H,17,18,24);1H4/t10-,12-,13-,16-;11-,12-,13-,16-;8-,10-,11-,14-;9-,11-,12-,15-;/m1111./s1.

What are the key properties of 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane?

8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane has a molecular weight of 1493.62 g/mol, XLogP of 4.16, 16 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1,2-dimethylpurin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-3H-purine-6-thione;7-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione;methane is sourced from PubChem (CID 159710003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).