N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide

C8H17NO7 — CID 87355666

IUPACN-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide
SMILESCC(=O)NC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H17NO7/c1-3(11)9-8(16)7(15)6(14)5(13)4(12)2-10/h4-8,10,12-16H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1
InChIKeyKTWSJFYDCOMYKP-KEWYIRBNSA-N
MW239.22 g/mol
LogP-4.12
Rot. Bonds6

About N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide

N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide (PubChem CID 87355666) has the molecular formula C8H17NO7 and a molecular weight of 239.22 g/mol. Its IUPAC name is N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide
PubChem CID87355666
Molecular FormulaC8H17NO7
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC NameN-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide
SMILESCC(=O)NC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H17NO7/c1-3(11)9-8(16)7(15)6(14)5(13)4(12)2-10/h4-8,10,12-16H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1
InChIKeyKTWSJFYDCOMYKP-KEWYIRBNSA-N
XLogP-4.12
TPSA150.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.22
LogP ≤ 5-4.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide (CID 87355666) is N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide is CC(=O)NC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide?
The InChIKey is KTWSJFYDCOMYKP-KEWYIRBNSA-N. The full InChI is InChI=1S/C8H17NO7/c1-3(11)9-8(16)7(15)6(14)5(13)4(12)2-10/h4-8,10,12-16H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1.
What are the key properties of N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide?
N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide has a molecular weight of 239.22 g/mol, XLogP of -4.12, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]acetamide is sourced from PubChem (CID 87355666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).