N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

C25H43NO21 — CID 5258016

IUPACN-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C25H43NO21/c1-5(30)26-9-18(44-24-16(37)13(34)10(31)6(2-27)42-24)11(32)7(3-28)41-23(9)45-19-12(33)8(4-29)43-25(17(19)38)46-20-14(35)15(36)21(39)47-22(20)40/h6-25,27-29,31-40H,2-4H2,1H3,(H,26,30)
InChIKeyCXTOVVVDYRIYFC-UHFFFAOYSA-N
MW693.60 g/mol
LogP-9.65
Rot. Bonds10

About N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 5258016) has the molecular formula C25H43NO21 and a molecular weight of 693.60 g/mol. Its IUPAC name is N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
PubChem CID5258016
Molecular FormulaC25H43NO21
Molecular Weight693.60 g/mol
Exact Mass693.23
IUPAC NameN-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILESCC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C25H43NO21/c1-5(30)26-9-18(44-24-16(37)13(34)10(31)6(2-27)42-24)11(32)7(3-28)41-23(9)45-19-12(33)8(4-29)43-25(17(19)38)46-20-14(35)15(36)21(39)47-22(20)40/h6-25,27-29,31-40H,2-4H2,1H3,(H,26,30)
InChIKeyCXTOVVVDYRIYFC-UHFFFAOYSA-N
XLogP-9.65
TPSA356.70 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500693.60
LogP ≤ 5-9.65
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The IUPAC name of N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 5258016) is N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The canonical SMILES for N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
The InChIKey is CXTOVVVDYRIYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO21/c1-5(30)26-9-18(44-24-16(37)13(34)10(31)6(2-27)42-24)11(32)7(3-28)41-23(9)45-19-12(33)8(4-29)43-25(17(19)38)46-20-14(35)15(36)21(39)47-22(20)40/h6-25,27-29,31-40H,2-4H2,1H3,(H,26,30).
What are the key properties of N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?
N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 693.60 g/mol, XLogP of -9.65, 10 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,4,5,6-tetrahydroxyoxan-3-yl)oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 5258016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).