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

C9H19NO6 — CID 15929700

IUPACN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
SMILESCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO6/c1-2-7(14)10-3-5(12)8(15)9(16)6(13)4-11/h5-6,8-9,11-13,15-16H,2-4H2,1H3,(H,10,14)/t5-,6+,8+,9+/m0/s1
InChIKeyMFYNLBVJDOLIMH-HIORRCEOSA-N
MW237.25 g/mol
LogP-3.05
Rot. Bonds7

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

N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide (PubChem CID 15929700) has the molecular formula C9H19NO6 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
PubChem CID15929700
Molecular FormulaC9H19NO6
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
SMILESCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO6/c1-2-7(14)10-3-5(12)8(15)9(16)6(13)4-11/h5-6,8-9,11-13,15-16H,2-4H2,1H3,(H,10,14)/t5-,6+,8+,9+/m0/s1
InChIKeyMFYNLBVJDOLIMH-HIORRCEOSA-N
XLogP-3.05
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.25
LogP ≤ 5-3.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The IUPAC name of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide (CID 15929700) is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide.
What is the SMILES notation for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The canonical SMILES for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide is CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
The InChIKey is MFYNLBVJDOLIMH-HIORRCEOSA-N. The full InChI is InChI=1S/C9H19NO6/c1-2-7(14)10-3-5(12)8(15)9(16)6(13)4-11/h5-6,8-9,11-13,15-16H,2-4H2,1H3,(H,10,14)/t5-,6+,8+,9+/m0/s1.
What are the key properties of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide?
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide has a molecular weight of 237.25 g/mol, XLogP of -3.05, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide is sourced from PubChem (CID 15929700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).