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

C10H21NO6 — CID 15929701

IUPACN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide
SMILESCCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO6/c1-2-3-8(15)11-4-6(13)9(16)10(17)7(14)5-12/h6-7,9-10,12-14,16-17H,2-5H2,1H3,(H,11,15)/t6-,7+,9+,10+/m0/s1
InChIKeyGVKHAMKBQJSGQI-MVHNUAHISA-N
MW251.28 g/mol
LogP-2.66
Rot. Bonds8

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

N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide (PubChem CID 15929701) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide
PubChem CID15929701
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide
SMILESCCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO6/c1-2-3-8(15)11-4-6(13)9(16)10(17)7(14)5-12/h6-7,9-10,12-14,16-17H,2-5H2,1H3,(H,11,15)/t6-,7+,9+,10+/m0/s1
InChIKeyGVKHAMKBQJSGQI-MVHNUAHISA-N
XLogP-2.66
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.28
LogP ≤ 5-2.66
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]butanamide?
The IUPAC name of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide (CID 15929701) is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide.
What is the SMILES notation for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide?
The canonical SMILES for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide is CCCC(=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]butanamide?
The InChIKey is GVKHAMKBQJSGQI-MVHNUAHISA-N. The full InChI is InChI=1S/C10H21NO6/c1-2-3-8(15)11-4-6(13)9(16)10(17)7(14)5-12/h6-7,9-10,12-14,16-17H,2-5H2,1H3,(H,11,15)/t6-,7+,9+,10+/m0/s1.
What are the key properties of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide?
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide has a molecular weight of 251.28 g/mol, XLogP of -2.66, 8 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]butanamide is sourced from PubChem (CID 15929701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).