2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C30H55NO19 — CID 90337482

About 2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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 90337482) has the molecular formula C30H55NO19 and a molecular weight of 733.76 g/mol. Its IUPAC name is 2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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: 90337482
• Molecular Formula: C30H55NO19
• Molecular Weight: 733.76 g/mol
• Exact Mass: 733.34
• IUPAC Name: 2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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(CCOCCO)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
• InChI: InChI=1S/C30H55NO19/c1-13(2)26-24(41)27(50-30-23(40)22(39)19(36)15(10-34)48-30)21(38)17(46-26)12-44-29-25(42)28(20(37)16(11-35)47-29)49-18-8-31(3-5-43-6-4-32)7-14(9-33)45-18/h13-30,32-42H,3-12H2,1-2H3
• InChIKey: STAFLVGQCZGQLV-UHFFFAOYSA-N
• XLogP: -6.81
• TPSA: 299.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.76
LogP ≤ 5	-6.81
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-propan-2-yloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90337482) is 2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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(CCOCCO)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-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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 STAFLVGQCZGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55NO19/c1-13(2)26-24(41)27(50-30-23(40)22(39)19(36)15(10-34)48-30)21(38)17(46-26)12-44-29-25(42)28(20(37)16(11-35)47-29)49-18-8-31(3-5-43-6-4-32)7-14(9-33)45-18/h13-30,32-42H,3-12H2,1-2H3.

What are the key properties of 2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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 733.76 g/mol, XLogP of -6.81, 16 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[3,5-dihydroxy-4-[4-[2-(2-hydroxyethoxy)ethyl]-6-(hydroxymethyl)morpholin-2-yl]oxy-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 90337482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).