[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane

C123H212N8O31P2Si2 — CID 159323800

About [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane

[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane (PubChem CID 159323800) has the molecular formula C123H212N8O31P2Si2 and a molecular weight of 2417.19 g/mol. Its IUPAC name is [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane.

Molecular Properties

• Compound Name: [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane
• PubChem CID: 159323800
• Molecular Formula: C123H212N8O31P2Si2
• Molecular Weight: 2417.19 g/mol
• Exact Mass: 2415.43
• IUPAC Name: [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(=O)O[C@H](CC)CC(=O)NC1[C@H](OCC2OC(O[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])[C@@H](OC(=O)C[C@H](C)CC)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OP2(=O)OCc3ccccc3CO2)[C@@H]1C.CCC(=O)O[C@H](CC)CC(=O)NC1[C@H](OCC2OC(O[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])[C@@H](OC(=O)C[C@H](C)CC)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OP2(=O)OCc3ccccc3CO2)[C@@H]1O
• InChI: InChI=1S/C55H79N4O15PSi.C54H77N4O16PSi.14CH4/c1-11-36(4)28-47(62)72-52-49(58-59-56)54(74-76(9,10)55(6,7)8)71-44(51(52)65-31-39-24-18-15-19-25-39)35-66-53-48(57-45(60)29-42(12-2)69-46(61)13-3)37(5)50(43(70-53)34-64-30-38-22-16-14-17-23-38)73-75(63)67-32-40-26-20-21-27-41(40)33-68-75;1-10-35(4)27-45(61)72-51-47(57-58-55)53(74-76(8,9)54(5,6)7)71-42(50(51)65-30-37-23-17-14-18-24-37)34-66-52-46(56-43(59)28-40(11-2)69-44(60)12-3)48(62)49(41(70-52)33-64-29-36-21-15-13-16-22-36)73-75(63)67-31-38-25-19-20-26-39(38)32-68-75;;;;;;;;;;;;;;/h14-27,36-37,42-44,48-54H,11-13,28-35H2,1-10H3,(H,57,60);13-26,35,40-42,46-53,62H,10-12,27-34H2,1-9H3,(H,56,59);14*1H4/t36-,37-,42-,43?,44?,48?,49?,50+,51+,52-,53-,54?;35-,40-,41?,42?,46?,47?,48-,49-,50+,51-,52-,53?;;;;;;;;;;;;;;/m11............../s1
• InChIKey: LECHDSGPVDCEER-SLYOPATHSA-N
• XLogP: 29.20
• TPSA: 481.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 50
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.19
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane?

The IUPAC name of [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane (CID 159323800) is [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane.

What is the SMILES notation for [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane?

The canonical SMILES for [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(=O)O[C@H](CC)CC(=O)NC1[C@H](OCC2OC(O[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])[C@@H](OC(=O)C[C@H](C)CC)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OP2(=O)OCc3ccccc3CO2)[C@@H]1C.CCC(=O)O[C@H](CC)CC(=O)NC1[C@H](OCC2OC(O[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])[C@@H](OC(=O)C[C@H](C)CC)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OP2(=O)OCc3ccccc3CO2)[C@@H]1O.

What is the InChIKey of [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane?

The InChIKey is LECHDSGPVDCEER-SLYOPATHSA-N. The full InChI is InChI=1S/C55H79N4O15PSi.C54H77N4O16PSi.14CH4/c1-11-36(4)28-47(62)72-52-49(58-59-56)54(74-76(9,10)55(6,7)8)71-44(51(52)65-31-39-24-18-15-19-25-39)35-66-53-48(57-45(60)29-42(12-2)69-46(61)13-3)37(5)50(43(70-53)34-64-30-38-22-16-14-17-23-38)73-75(63)67-32-40-26-20-21-27-41(40)33-68-75;1-10-35(4)27-45(61)72-51-47(57-58-55)53(74-76(8,9)54(5,6)7)71-42(50(51)65-30-37-23-17-14-18-24-37)34-66-52-46(56-43(59)28-40(11-2)69-44(60)12-3)48(62)49(41(70-52)33-64-29-36-21-15-13-16-22-36)73-75(63)67-31-38-25-19-20-26-39(38)32-68-75;;;;;;;;;;;;;;/h14-27,36-37,42-44,48-54H,11-13,28-35H2,1-10H3,(H,57,60);13-26,35,40-42,46-53,62H,10-12,27-34H2,1-9H3,(H,56,59);14*1H4/t36-,37-,42-,43?,44?,48?,49?,50+,51+,52-,53-,54?;35-,40-,41?,42?,46?,47?,48-,49-,50+,51-,52-,53?;;;;;;;;;;;;;;/m11............../s1.

What are the key properties of [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane?

[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane has a molecular weight of 2417.19 g/mol, XLogP of 29.20, 50 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-hydroxy-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;[(4R,5R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,4R,5S)-4-methyl-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-3-[[(3R)-3-propanoyloxypentanoyl]amino]oxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-methylpentanoate;methane is sourced from PubChem (CID 159323800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).