N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide

C8H17NO5 — CID 6914600

IUPACN-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H17NO5/c1-4(9-5(2)11)7(13)8(14)6(12)3-10/h4,6-8,10,12-14H,3H2,1-2H3,(H,9,11)/t4-,6+,7+,8+/m0/s1
InChIKeyGNDXKDUZRVMTHI-MLQRGLMKSA-N
MW207.23 g/mol
LogP-2.41
Rot. Bonds5

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

N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide (PubChem CID 6914600) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide
PubChem CID6914600
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC NameN-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H17NO5/c1-4(9-5(2)11)7(13)8(14)6(12)3-10/h4,6-8,10,12-14H,3H2,1-2H3,(H,9,11)/t4-,6+,7+,8+/m0/s1
InChIKeyGNDXKDUZRVMTHI-MLQRGLMKSA-N
XLogP-2.41
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide (CID 6914600) is N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide is CC(=O)N[C@@H](C)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide?
The InChIKey is GNDXKDUZRVMTHI-MLQRGLMKSA-N. The full InChI is InChI=1S/C8H17NO5/c1-4(9-5(2)11)7(13)8(14)6(12)3-10/h4,6-8,10,12-14H,3H2,1-2H3,(H,9,11)/t4-,6+,7+,8+/m0/s1.
What are the key properties of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide?
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide has a molecular weight of 207.23 g/mol, XLogP of -2.41, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]acetamide is sourced from PubChem (CID 6914600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).