2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C49H88N2O30 — CID 90337521

About 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90337521) has the molecular formula C49H88N2O30 and a molecular weight of 1185.23 g/mol. Its IUPAC name is 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 90337521
• Molecular Formula: C49H88N2O30
• Molecular Weight: 1185.23 g/mol
• Exact Mass: 1184.54
• IUPAC Name: 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CC(C)C1OC(COC2OC(CO)C(O)C(OC3CN(CCCN4CC(CO)OC(OCC5OC(C(C)C)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
• InChI: InChI=1S/C49H88N2O30/c1-18(2)40-37(66)42(80-47-35(64)33(62)28(57)22(13-54)77-47)31(60)25(74-40)16-70-46-39(68)44(30(59)24(15-56)76-46)79-27-10-50(8-20(11-52)72-27)6-5-7-51-9-21(12-53)73-49(45(51)69)71-17-26-32(61)43(38(67)41(75-26)19(3)4)81-48-36(65)34(63)29(58)23(14-55)78-48/h18-49,52-69H,5-17H2,1-4H3
• InChIKey: KUGHSIJNEIBVKM-UHFFFAOYSA-N
• XLogP: -10.75
• TPSA: 481.38 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.23
LogP ≤ 5	-10.75
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90337521) is 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)C1OC(COC2OC(CO)C(O)C(OC3CN(CCCN4CC(CO)OC(OCC5OC(C(C)C)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.

What is the InChIKey of 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is KUGHSIJNEIBVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H88N2O30/c1-18(2)40-37(66)42(80-47-35(64)33(62)28(57)22(13-54)77-47)31(60)25(74-40)16-70-46-39(68)44(30(59)24(15-56)76-46)79-27-10-50(8-20(11-52)72-27)6-5-7-51-9-21(12-53)73-49(45(51)69)71-17-26-32(61)43(38(67)41(75-26)19(3)4)81-48-36(65)34(63)29(58)23(14-55)78-48/h18-49,52-69H,5-17H2,1-4H3.

What are the key properties of 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1185.23 g/mol, XLogP of -10.75, 23 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[4-[3-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-6-(hydroxymethyl)morpholin-4-yl]propyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90337521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).