[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate

C52H93O45P3 — CID 10582380

About [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate

[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate (PubChem CID 10582380) has the molecular formula C52H93O45P3 and a molecular weight of 1531.19 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate
• PubChem CID: 10582380
• Molecular Formula: C52H93O45P3
• Molecular Weight: 1531.19 g/mol
• Exact Mass: 1530.42
• IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate
• SMILES: C=CCCCCCCCCOP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](COP(=O)(O)O[C@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]5O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@@H]3O)[C@H](O)C(O)[C@H]2O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C52H93O45P3/c1-2-3-4-5-6-7-8-9-10-81-98(75,76)95-50-38(71)32(65)43(21(14-56)86-50)92-48-37(70)31(64)27(60)23(89-48)16-82-99(77,78)96-52-40(73)34(67)44(22(15-57)88-52)93-49-41(74)45(94-47-36(69)30(63)26(59)19(12-54)85-47)28(61)24(90-49)17-83-100(79,80)97-51-39(72)33(66)42(20(13-55)87-51)91-46-35(68)29(62)25(58)18(11-53)84-46/h2,18-74H,1,3-17H2,(H,75,76)(H,77,78)(H,79,80)/t18-,19-,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+,49+,50-,51-,52-/m1/s1
• InChIKey: IVEMFZVUSAAMAS-ARJUCDHESA-N
• XLogP: -11.98
• TPSA: 713.87 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 42
• Rotatable Bonds: 35
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1531.19
LogP ≤ 5	-11.98
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate?

The IUPAC name of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate (CID 10582380) is [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate.

What is the SMILES notation for [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate?

The canonical SMILES for [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate is C=CCCCCCCCCOP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](COP(=O)(O)O[C@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]5O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@@H]3O)[C@H](O)C(O)[C@H]2O)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate?

The InChIKey is IVEMFZVUSAAMAS-ARJUCDHESA-N. The full InChI is InChI=1S/C52H93O45P3/c1-2-3-4-5-6-7-8-9-10-81-98(75,76)95-50-38(71)32(65)43(21(14-56)86-50)92-48-37(70)31(64)27(60)23(89-48)16-82-99(77,78)96-52-40(73)34(67)44(22(15-57)88-52)93-49-41(74)45(94-47-36(69)30(63)26(59)19(12-54)85-47)28(61)24(90-49)17-83-100(79,80)97-51-39(72)33(66)42(20(13-55)87-51)91-46-35(68)29(62)25(58)18(11-53)84-46/h2,18-74H,1,3-17H2,(H,75,76)(H,77,78)(H,79,80)/t18-,19-,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+,49+,50-,51-,52-/m1/s1.

What are the key properties of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate?

[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate has a molecular weight of 1531.19 g/mol, XLogP of -11.98, 35 rotatable bonds, 25 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-6-[dec-9-enoxy(hydroxy)phosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen phosphate is sourced from PubChem (CID 10582380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).