2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide

C12H23NO11 — CID 56968920

IUPAC2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide
SMILESO=C(NC1C(O)OC(CO)C(O)C1O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C12H23NO11/c14-1-3(16)6(17)9(20)10(21)11(22)13-5-8(19)7(18)4(2-15)24-12(5)23/h3-10,12,14-21,23H,1-2H2,(H,13,22)
InChIKeySDLVEXHNBRYKIN-UHFFFAOYSA-N
MW357.31 g/mol
LogP-6.66
Rot. Bonds7

About 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide

2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide (PubChem CID 56968920) has the molecular formula C12H23NO11 and a molecular weight of 357.31 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide
PubChem CID56968920
Molecular FormulaC12H23NO11
Molecular Weight357.31 g/mol
Exact Mass357.13
IUPAC Name2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide
SMILESO=C(NC1C(O)OC(CO)C(O)C1O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C12H23NO11/c14-1-3(16)6(17)9(20)10(21)11(22)13-5-8(19)7(18)4(2-15)24-12(5)23/h3-10,12,14-21,23H,1-2H2,(H,13,22)
InChIKeySDLVEXHNBRYKIN-UHFFFAOYSA-N
XLogP-6.66
TPSA220.40 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500357.31
LogP ≤ 5-6.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide?
The IUPAC name of 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide (CID 56968920) is 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide.
What is the SMILES notation for 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide?
The canonical SMILES for 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide is O=C(NC1C(O)OC(CO)C(O)C1O)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide?
The InChIKey is SDLVEXHNBRYKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO11/c14-1-3(16)6(17)9(20)10(21)11(22)13-5-8(19)7(18)4(2-15)24-12(5)23/h3-10,12,14-21,23H,1-2H2,(H,13,22).
What are the key properties of 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide?
2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide has a molecular weight of 357.31 g/mol, XLogP of -6.66, 7 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexanamide is sourced from PubChem (CID 56968920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).