[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

C34H59N2O29P — CID 171123745

About [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate (PubChem CID 171123745) has the molecular formula C34H59N2O29P and a molecular weight of 990.80 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
• PubChem CID: 171123745
• Molecular Formula: C34H59N2O29P
• Molecular Weight: 990.80 g/mol
• Exact Mass: 990.29
• IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
• SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O[C@H]4O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2NC(C)=O)O[C@H]1O
• InChI: InChI=1S/C34H59N2O29P/c1-8(40)35-15-20(47)17(44)13(58-30(15)52)6-56-34-29(23(50)25(61-34)10(42)3-37)65-31-16(36-9(2)41)27(19(46)12(5-39)59-31)63-33-24(51)28(26(62-33)11(43)4-38)64-32-22(49)21(48)18(45)14(60-32)7-57-66(53,54)55/h10-34,37-39,42-52H,3-7H2,1-2H3,(H,35,40)(H,36,41)(H2,53,54,55)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-/m1/s1
• InChIKey: FIUHHMPVFLOROJ-SYBVLRJJSA-N
• XLogP: -11.52
• TPSA: 491.25 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.80
LogP ≤ 5	-11.52
H-Bond Donors ≤ 5	18
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 [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

The IUPAC name of [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate (CID 171123745) is [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

The canonical SMILES for [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O[C@H]4O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2NC(C)=O)O[C@H]1O.

What is the InChIKey of [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

The InChIKey is FIUHHMPVFLOROJ-SYBVLRJJSA-N. The full InChI is InChI=1S/C34H59N2O29P/c1-8(40)35-15-20(47)17(44)13(58-30(15)52)6-56-34-29(23(50)25(61-34)10(42)3-37)65-31-16(36-9(2)41)27(19(46)12(5-39)59-31)63-33-24(51)28(26(62-33)11(43)4-38)64-32-22(49)21(48)18(45)14(60-32)7-57-66(53,54)55/h10-34,37-39,42-52H,3-7H2,1-2H3,(H,35,40)(H,36,41)(H2,53,54,55)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-/m1/s1.

What are the key properties of [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate has a molecular weight of 990.80 g/mol, XLogP of -11.52, 19 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 171123745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).