2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C34H55NO18 — CID 90337486

About 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90337486) has the molecular formula C34H55NO18 and a molecular weight of 765.80 g/mol. Its IUPAC name is 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 90337486
• Molecular Formula: C34H55NO18
• Molecular Weight: 765.80 g/mol
• Exact Mass: 765.34
• IUPAC Name: 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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(C(CO)c4ccccc4)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
• InChI: InChI=1S/C34H55NO18/c1-15(2)30-28(45)31(53-34-27(44)26(43)23(40)19(12-38)51-34)25(42)21(49-30)14-47-33-29(46)32(24(41)20(13-39)50-33)52-22-9-35(8-17(10-36)48-22)18(11-37)16-6-4-3-5-7-16/h3-7,15,17-34,36-46H,8-14H2,1-2H3
• InChIKey: KDUPSALDIIUECG-UHFFFAOYSA-N
• XLogP: -5.09
• TPSA: 290.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	765.80
LogP ≤ 5	-5.09
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90337486) is 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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(C(CO)c4ccccc4)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.

What is the InChIKey of 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is KDUPSALDIIUECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55NO18/c1-15(2)30-28(45)31(53-34-27(44)26(43)23(40)19(12-38)51-34)25(42)21(49-30)14-47-33-29(46)32(24(41)20(13-39)50-33)52-22-9-35(8-17(10-36)48-22)18(11-37)16-6-4-3-5-7-16/h3-7,15,17-34,36-46H,8-14H2,1-2H3.

What are the key properties of 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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 765.80 g/mol, XLogP of -5.09, 14 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-(2-hydroxy-1-phenylethyl)morpholin-2-yl]oxyoxan-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 90337486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).