[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

C45H61N2O36P9S — CID 159076103

About [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate (PubChem CID 159076103) has the molecular formula C45H61N2O36P9S and a molecular weight of 1516.79 g/mol. Its IUPAC name is [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.

Molecular Properties

• Compound Name: [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
• PubChem CID: 159076103
• Molecular Formula: C45H61N2O36P9S
• Molecular Weight: 1516.79 g/mol
• Exact Mass: 1516.04
• IUPAC Name: [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
• SMILES: C=C1c2ccc(C)cc2C=CN1[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.C=C1c2sccc2C=CN1[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.Cc1cc2ccccc2cc1[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
• InChI: InChI=1S/C16H22NO12P3.C16H21O12P3.C13H18NO12P3S/c1-10-3-4-13-11(2)17(6-5-12(13)7-10)16-8-14(18)15(27-16)9-26-31(22,23)29-32(24,25)28-30(19,20)21;1-10-6-11-4-2-3-5-12(11)7-13(10)15-8-14(17)16(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20;1-8-13-9(3-5-30-13)2-4-14(8)12-6-10(15)11(24-12)7-23-28(19,20)26-29(21,22)25-27(16,17)18/h3-7,14-16,18H,2,8-9H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);2-7,14-17H,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20);2-5,10-12,15H,1,6-7H2,(H,19,20)(H,21,22)(H2,16,17,18)/t2*14-,15-,16-;10-,11-,12-/m111/s1
• InChIKey: KAGQLLUJTSZCJM-XFSPIONFSA-N
• XLogP: 6.58
• TPSA: 574.32 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1516.79
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?

The IUPAC name of [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate (CID 159076103) is [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.

What is the SMILES notation for [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?

The canonical SMILES for [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate is C=C1c2ccc(C)cc2C=CN1[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.C=C1c2sccc2C=CN1[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.Cc1cc2ccccc2cc1[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.

What is the InChIKey of [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?

The InChIKey is KAGQLLUJTSZCJM-XFSPIONFSA-N. The full InChI is InChI=1S/C16H22NO12P3.C16H21O12P3.C13H18NO12P3S/c1-10-3-4-13-11(2)17(6-5-12(13)7-10)16-8-14(18)15(27-16)9-26-31(22,23)29-32(24,25)28-30(19,20)21;1-10-6-11-4-2-3-5-12(11)7-13(10)15-8-14(17)16(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20;1-8-13-9(3-5-30-13)2-4-14(8)12-6-10(15)11(24-12)7-23-28(19,20)26-29(21,22)25-27(16,17)18/h3-7,14-16,18H,2,8-9H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21);2-7,14-17H,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20);2-5,10-12,15H,1,6-7H2,(H,19,20)(H,21,22)(H2,16,17,18)/t2*14-,15-,16-;10-,11-,12-/m111/s1.

What are the key properties of [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?

[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate has a molecular weight of 1516.79 g/mol, XLogP of 6.58, 24 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(7-methylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(6-methyl-1-methylideneisoquinolin-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(3-methylnaphthalen-2-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 159076103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).