[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate

C58H72F2N16O37P5S2-5 — CID 170689350

About [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate

[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate (PubChem CID 170689350) has the molecular formula C58H72F2N16O37P5S2-5 and a molecular weight of 1842.29 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate
• PubChem CID: 170689350
• Molecular Formula: C58H72F2N16O37P5S2-5
• Molecular Weight: 1842.29 g/mol
• Exact Mass: 1841.24
• IUPAC Name: [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate
• SMILES: CO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](F)C2OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](OC)C2OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](F)C2OP([O-])(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](OC)C2OP(=O)([S-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](OC)C2O)[C@@H](C)O[C@H]1n1ccc(N)nc1=O
• InChI: InChI=1S/C58H77F2N16O37P5S2/c1-23-38(44(95-3)50(103-23)74-14-8-31(63)67-55(74)82)109-114(86,87)98-19-25-39(35(59)47(105-25)71-12-6-29(61)65-53(71)80)110-115(88,89)100-21-27-41(45(96-4)51(107-27)76-17-11-34(78)70-58(76)85)111-116(90,91)99-20-26-40(36(60)48(106-26)72-16-10-33(77)69-57(72)84)112-117(92,119)102-22-28-42(46(97-5)52(108-28)75-15-9-32(64)68-56(75)83)113-118(93,120)101-18-24-37(79)43(94-2)49(104-24)73-13-7-30(62)66-54(73)81/h6-17,23-28,35-52,79H,18-22H2,1-5H3,(H,86,87)(H,88,89)(H,90,91)(H,92,119)(H,93,120)(H2,61,65,80)(H2,62,66,81)(H2,63,67,82)(H2,64,68,83)(H,69,77,84)(H,70,78,85)/p-5/t23-,24-,25-,26-,27-,28-,35+,36+,37?,38?,39?,40?,41?,42?,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,117?,118?/m1/s1
• InChIKey: BSZBNFDLVJNOIO-GGAVQJLGSA-I
• XLogP: -6.40
• TPSA: 718.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 53
• Rotatable Bonds: 35
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1842.29
LogP ≤ 5	-6.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate?

The IUPAC name of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate (CID 170689350) is [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate.

What is the SMILES notation for [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate?

The canonical SMILES for [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate is CO[C@H]1C(OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](F)C2OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](OC)C2OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](F)C2OP([O-])(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](OC)C2OP(=O)([S-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](OC)C2O)[C@@H](C)O[C@H]1n1ccc(N)nc1=O.

What is the InChIKey of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate?

The InChIKey is BSZBNFDLVJNOIO-GGAVQJLGSA-I. The full InChI is InChI=1S/C58H77F2N16O37P5S2/c1-23-38(44(95-3)50(103-23)74-14-8-31(63)67-55(74)82)109-114(86,87)98-19-25-39(35(59)47(105-25)71-12-6-29(61)65-53(71)80)110-115(88,89)100-21-27-41(45(96-4)51(107-27)76-17-11-34(78)70-58(76)85)111-116(90,91)99-20-26-40(36(60)48(106-26)72-16-10-33(77)69-57(72)84)112-117(92,119)102-22-28-42(46(97-5)52(108-28)75-15-9-32(64)68-56(75)83)113-118(93,120)101-18-24-37(79)43(94-2)49(104-24)73-13-7-30(62)66-54(73)81/h6-17,23-28,35-52,79H,18-22H2,1-5H3,(H,86,87)(H,88,89)(H,90,91)(H,92,119)(H,93,120)(H2,61,65,80)(H2,62,66,81)(H2,63,67,82)(H2,64,68,83)(H,69,77,84)(H,70,78,85)/p-5/t23-,24-,25-,26-,27-,28-,35+,36+,37?,38?,39?,40?,41?,42?,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,117?,118?/m1/s1.

What are the key properties of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate?

[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate has a molecular weight of 1842.29 g/mol, XLogP of -6.40, 35 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-methyloxolan-3-yl] phosphate is sourced from PubChem (CID 170689350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).