2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide

C9H19NO7 — CID 18633367

IUPAC2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
SMILESCC(O)C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO7/c1-4(12)9(17)10-2-5(13)7(15)8(16)6(14)3-11/h4-8,11-16H,2-3H2,1H3,(H,10,17)/t4?,5-,6+,7+,8+/m0/s1
InChIKeyLEQNLTAOMDPITA-XUQKIGAKSA-N
MW253.25 g/mol
LogP-4.08
Rot. Bonds7

About 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide

2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide (PubChem CID 18633367) has the molecular formula C9H19NO7 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
PubChem CID18633367
Molecular FormulaC9H19NO7
Molecular Weight253.25 g/mol
Exact Mass253.12
IUPAC Name2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
SMILESCC(O)C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO7/c1-4(12)9(17)10-2-5(13)7(15)8(16)6(14)3-11/h4-8,11-16H,2-3H2,1H3,(H,10,17)/t4?,5-,6+,7+,8+/m0/s1
InChIKeyLEQNLTAOMDPITA-XUQKIGAKSA-N
XLogP-4.08
TPSA150.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.25
LogP ≤ 5-4.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The IUPAC name of 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide (CID 18633367) is 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide.
What is the SMILES notation for 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The canonical SMILES for 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide is CC(O)C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The InChIKey is LEQNLTAOMDPITA-XUQKIGAKSA-N. The full InChI is InChI=1S/C9H19NO7/c1-4(12)9(17)10-2-5(13)7(15)8(16)6(14)3-11/h4-8,11-16H,2-3H2,1H3,(H,10,17)/t4?,5-,6+,7+,8+/m0/s1.
What are the key properties of 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide has a molecular weight of 253.25 g/mol, XLogP of -4.08, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide is sourced from PubChem (CID 18633367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).