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

C12H23NO11 — CID 118710034

IUPAC(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C12H23NO11/c14-1-3(16)5(17)7(19)9(21)11(23)13-12-10(22)8(20)6(18)4(2-15)24-12/h3-10,12,14-22H,1-2H2,(H,13,23)/t3-,4-,5+,6-,7+,8+,9-,10-,12-/m1/s1
InChIKeyJAFGKYHVKUJLEI-JZDZPACFSA-N
MW357.31 g/mol
LogP-6.66
Rot. Bonds7

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

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide (PubChem CID 118710034) has the molecular formula C12H23NO11 and a molecular weight of 357.31 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
PubChem CID118710034
Molecular FormulaC12H23NO11
Molecular Weight357.31 g/mol
Exact Mass357.13
IUPAC Name(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C12H23NO11/c14-1-3(16)5(17)7(19)9(21)11(23)13-12-10(22)8(20)6(18)4(2-15)24-12/h3-10,12,14-22H,1-2H2,(H,13,23)/t3-,4-,5+,6-,7+,8+,9-,10-,12-/m1/s1
InChIKeyJAFGKYHVKUJLEI-JZDZPACFSA-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

Analyze (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
The IUPAC name of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide (CID 118710034) is (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide is O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
The InChIKey is JAFGKYHVKUJLEI-JZDZPACFSA-N. The full InChI is InChI=1S/C12H23NO11/c14-1-3(16)5(17)7(19)9(21)11(23)13-12-10(22)8(20)6(18)4(2-15)24-12/h3-10,12,14-22H,1-2H2,(H,13,23)/t3-,4-,5+,6-,7+,8+,9-,10-,12-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-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 (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide is sourced from PubChem (CID 118710034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).