N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide

C11H21NO5 — CID 58281217

IUPACN-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1O[C@@H](C(C)C)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H21NO5/c1-5(2)11-10(16)9(15)8(14)7(17-11)4-12-6(3)13/h5,7-11,14-16H,4H2,1-3H3,(H,12,13)/t7?,8-,9-,10?,11-/m0/s1
InChIKeyLMUWPAVVEYMFJC-JTJNNRJCSA-N
MW247.29 g/mol
LogP-1.37
Rot. Bonds3

About N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide

N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide (PubChem CID 58281217) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide
PubChem CID58281217
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC NameN-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1O[C@@H](C(C)C)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H21NO5/c1-5(2)11-10(16)9(15)8(14)7(17-11)4-12-6(3)13/h5,7-11,14-16H,4H2,1-3H3,(H,12,13)/t7?,8-,9-,10?,11-/m0/s1
InChIKeyLMUWPAVVEYMFJC-JTJNNRJCSA-N
XLogP-1.37
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide (CID 58281217) is N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide is CC(=O)NCC1O[C@@H](C(C)C)C(O)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide?
The InChIKey is LMUWPAVVEYMFJC-JTJNNRJCSA-N. The full InChI is InChI=1S/C11H21NO5/c1-5(2)11-10(16)9(15)8(14)7(17-11)4-12-6(3)13/h5,7-11,14-16H,4H2,1-3H3,(H,12,13)/t7?,8-,9-,10?,11-/m0/s1.
What are the key properties of N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide?
N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide has a molecular weight of 247.29 g/mol, XLogP of -1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide is sourced from PubChem (CID 58281217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).