[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate

C48H88N3O46P5 — CID 59949819

About [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate

[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate (PubChem CID 59949819) has the molecular formula C48H88N3O46P5 and a molecular weight of 1598.08 g/mol. Its IUPAC name is [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate
• PubChem CID: 59949819
• Molecular Formula: C48H88N3O46P5
• Molecular Weight: 1598.08 g/mol
• Exact Mass: 1597.33
• IUPAC Name: [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate
• SMILES: CC(=O)NC1C(O)C(O)[C@@H](COP(=O)(O)OC[C@@H]2O[C@H](COP(=O)(O)OC[C@@H]3O[C@H](COP(=O)(O)OC[C@@H]4O[C@H](COP(=O)(O)OC[C@@H]5O[C@H](COP(=O)(O)OC[C@@H]6O[C@H](CO)C(O)C(O)C6O)C(O)C(O)C5NC(C)=O)C(O)C(O)C4O)C(O)C(O)C3NC(C)=O)C(O)C(O)C2O)O[C@H]1CO
• InChI: InChI=1S/C48H88N3O46P5/c1-16(54)49-31-19(4-52)92-23(35(58)43(31)66)8-84-100(76,77)90-14-29-41(64)47(70)39(62)27(96-29)12-88-99(74,75)83-7-22-33(51-18(3)56)45(68)37(60)25(95-22)10-86-102(80,81)91-15-30-42(65)48(71)40(63)28(97-30)13-89-98(72,73)82-6-21-32(50-17(2)55)44(67)36(59)24(94-21)9-85-101(78,79)87-11-26-38(61)46(69)34(57)20(5-53)93-26/h19-48,52-53,57-71H,4-15H2,1-3H3,(H,49,54)(H,50,55)(H,51,56)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)/t19-,20+,21-,22-,23+,24+,25+,26-,27+,28+,29-,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?/m0/s1
• InChIKey: NEZRXFPGGZRKIC-VFOUNYEHSA-N
• XLogP: -12.83
• TPSA: 765.39 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 41
• Rotatable Bonds: 35
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1598.08
LogP ≤ 5	-12.83
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate?

The IUPAC name of [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate (CID 59949819) is [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate.

What is the SMILES notation for [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate?

The canonical SMILES for [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate is CC(=O)NC1C(O)C(O)[C@@H](COP(=O)(O)OC[C@@H]2O[C@H](COP(=O)(O)OC[C@@H]3O[C@H](COP(=O)(O)OC[C@@H]4O[C@H](COP(=O)(O)OC[C@@H]5O[C@H](COP(=O)(O)OC[C@@H]6O[C@H](CO)C(O)C(O)C6O)C(O)C(O)C5NC(C)=O)C(O)C(O)C4O)C(O)C(O)C3NC(C)=O)C(O)C(O)C2O)O[C@H]1CO.

What is the InChIKey of [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate?

The InChIKey is NEZRXFPGGZRKIC-VFOUNYEHSA-N. The full InChI is InChI=1S/C48H88N3O46P5/c1-16(54)49-31-19(4-52)92-23(35(58)43(31)66)8-84-100(76,77)90-14-29-41(64)47(70)39(62)27(96-29)12-88-99(74,75)83-7-22-33(51-18(3)56)45(68)37(60)25(95-22)10-86-102(80,81)91-15-30-42(65)48(71)40(63)28(97-30)13-89-98(72,73)82-6-21-32(50-17(2)55)44(67)36(59)24(94-21)9-85-101(78,79)87-11-26-38(61)46(69)34(57)20(5-53)93-26/h19-48,52-53,57-71H,4-15H2,1-3H3,(H,49,54)(H,50,55)(H,51,56)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)/t19-,20+,21-,22-,23+,24+,25+,26-,27+,28+,29-,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?/m0/s1.

What are the key properties of [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate?

[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate has a molecular weight of 1598.08 g/mol, XLogP of -12.83, 35 rotatable bonds, 25 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-6-[[[(2R,6S)-6-[[[(2R,6R)-5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxan-2-yl]methyl [(2S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 59949819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).