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

C11H21NO6 — CID 90195838

IUPACN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H21NO6/c1-2-3-4-9(16)12-5-7(14)10(17)11(18)8(15)6-13/h2,7-8,10-11,13-15,17-18H,1,3-6H2,(H,12,16)/t7-,8+,10+,11+/m0/s1
InChIKeyMCUSRRBZGNDTHM-SCVMZPAESA-N
MW263.29 g/mol
LogP-2.50
Rot. Bonds9

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

N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide (PubChem CID 90195838) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide
PubChem CID90195838
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC NameN-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H21NO6/c1-2-3-4-9(16)12-5-7(14)10(17)11(18)8(15)6-13/h2,7-8,10-11,13-15,17-18H,1,3-6H2,(H,12,16)/t7-,8+,10+,11+/m0/s1
InChIKeyMCUSRRBZGNDTHM-SCVMZPAESA-N
XLogP-2.50
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.29
LogP ≤ 5-2.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide?
The IUPAC name of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide (CID 90195838) is N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide.
What is the SMILES notation for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide?
The canonical SMILES for N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide is C=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]pent-4-enamide?
The InChIKey is MCUSRRBZGNDTHM-SCVMZPAESA-N. The full InChI is InChI=1S/C11H21NO6/c1-2-3-4-9(16)12-5-7(14)10(17)11(18)8(15)6-13/h2,7-8,10-11,13-15,17-18H,1,3-6H2,(H,12,16)/t7-,8+,10+,11+/m0/s1.
What are the key properties of N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide?
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pent-4-enamide has a molecular weight of 263.29 g/mol, XLogP of -2.50, 9 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]pent-4-enamide is sourced from PubChem (CID 90195838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).