2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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

C28H51NO18 — CID 90337470

IUPAC2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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
SMILESCC(C)C1OC(COC2OC(CO)C(O)C(OC3CN(CCO)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChIInChI=1S/C28H51NO18/c1-11(2)24-22(39)25(47-28-21(38)20(37)17(34)13(8-32)45-28)19(36)15(43-24)10-41-27-23(40)26(18(35)14(9-33)44-27)46-16-6-29(3-4-30)5-12(7-31)42-16/h11-28,30-40H,3-10H2,1-2H3
InChIKeyQPHSMVMXLMZTFO-UHFFFAOYSA-N
MW689.70 g/mol
LogP-6.83
Rot. Bonds13

About 2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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-hydroxyethyl)-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 90337470) has the molecular formula C28H51NO18 and a molecular weight of 689.70 g/mol. Its IUPAC name is 2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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 Name2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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 CID90337470
Molecular FormulaC28H51NO18
Molecular Weight689.70 g/mol
Exact Mass689.31
IUPAC Name2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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
SMILESCC(C)C1OC(COC2OC(CO)C(O)C(OC3CN(CCO)CC(CO)O3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChIInChI=1S/C28H51NO18/c1-11(2)24-22(39)25(47-28-21(38)20(37)17(34)13(8-32)45-28)19(36)15(43-24)10-41-27-23(40)26(18(35)14(9-33)44-27)46-16-6-29(3-4-30)5-12(7-31)42-16/h11-28,30-40H,3-10H2,1-2H3
InChIKeyQPHSMVMXLMZTFO-UHFFFAOYSA-N
XLogP-6.83
TPSA290.38 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500689.70
LogP ≤ 5-6.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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-hydroxyethyl)-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 90337470) is 2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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-hydroxyethyl)-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-hydroxyethyl)-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(CCO)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-hydroxyethyl)-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 QPHSMVMXLMZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51NO18/c1-11(2)24-22(39)25(47-28-21(38)20(37)17(34)13(8-32)45-28)19(36)15(43-24)10-41-27-23(40)26(18(35)14(9-33)44-27)46-16-6-29(3-4-30)5-12(7-31)42-16/h11-28,30-40H,3-10H2,1-2H3.
What are the key properties of 2-[2-[[3,5-dihydroxy-4-[4-(2-hydroxyethyl)-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-hydroxyethyl)-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 689.70 g/mol, XLogP of -6.83, 13 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-4-[4-(2-hydroxyethyl)-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 90337470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).