[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium

C66H122N7O41P6U- — CID 149052920

About [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium

[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium (PubChem CID 149052920) has the molecular formula C66H122N7O41P6U- and a molecular weight of 2094.59 g/mol. Its IUPAC name is [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium.

Molecular Properties

• Compound Name: [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium
• PubChem CID: 149052920
• Molecular Formula: C66H122N7O41P6U-
• Molecular Weight: 2094.59 g/mol
• Exact Mass: 2093.67
• IUPAC Name: [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium
• SMILES: [2H]N[PH](=O)CC(=O)P(=O)(O)OC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)([O-])OCC(COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.[U]
• InChI: InChI=1S/C66H123N7O41P6.U/c1-43-55(79)57(81)47(32-74)111-63(43)99-22-10-4-7-13-25-102-117(88,89)105-28-16-19-96-37-66(38-97-20-17-29-106-118(90,91)103-26-14-8-5-11-23-100-64-44(2)56(80)58(82)48(33-75)112-64,39-98-21-18-30-107-119(92,93)104-27-15-9-6-12-24-101-65-53(72-45(3)77)60(84)59(83)49(34-76)113-65)40-109-120(94,95)108-35-50-46(114-116(86,87)52(78)36-115(68)85)31-51(110-50)73-42-71-54-61(67)69-41-70-62(54)73;/h41-44,46-51,53,55-60,63-65,74-76,79-84,115H,4-40H2,1-3H3,(H2,68,85)(H,72,77)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H2,67,69,70);/p-1/t43?,44?,46?,47?,48?,49?,50-,51-,53?,55-,56-,57+,58+,59+,60-,63-,64-,65-,66?;/m1./s1/i/hD
• InChIKey: MMYGVNHOBZSJQM-AJLPSQEVSA-M
• XLogP: 0.16
• TPSA: 705.65 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 65
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.59
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium?

The IUPAC name of [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium (CID 149052920) is [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium.

What is the SMILES notation for [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium?

The canonical SMILES for [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium is [2H]N[PH](=O)CC(=O)P(=O)(O)OC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)([O-])OCC(COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.[U].

What is the InChIKey of [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium?

The InChIKey is MMYGVNHOBZSJQM-AJLPSQEVSA-M. The full InChI is InChI=1S/C66H123N7O41P6.U/c1-43-55(79)57(81)47(32-74)111-63(43)99-22-10-4-7-13-25-102-117(88,89)105-28-16-19-96-37-66(38-97-20-17-29-106-118(90,91)103-26-14-8-5-11-23-100-64-44(2)56(80)58(82)48(33-75)112-64,39-98-21-18-30-107-119(92,93)104-27-15-9-6-12-24-101-65-53(72-45(3)77)60(84)59(83)49(34-76)113-65)40-109-120(94,95)108-35-50-46(114-116(86,87)52(78)36-115(68)85)31-51(110-50)73-42-71-54-61(67)69-41-70-62(54)73;/h41-44,46-51,53,55-60,63-65,74-76,79-84,115H,4-40H2,1-3H3,(H2,68,85)(H,72,77)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H2,67,69,70);/p-1/t43?,44?,46?,47?,48?,49?,50-,51-,53?,55-,56-,57+,58+,59+,60-,63-,64-,65-,66?;/m1./s1/i/hD.

What are the key properties of [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium?

[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium has a molecular weight of 2094.59 g/mol, XLogP of 0.16, 65 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] [(2R,5R)-5-(6-aminopurin-9-yl)-3-[[2-(deuterioamino)phosphonoylacetyl]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl phosphate;uranium is sourced from PubChem (CID 149052920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).