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

C9H17NO6 — CID 90478880

IUPACN-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O
InChIInChI=1S/C9H17NO6/c1-4(12)10(2)6-8(14)7(13)5(3-11)16-9(6)15/h5-9,11,13-15H,3H2,1-2H3/t5-,6-,7-,8-,9+/m0/s1
InChIKeyJZSXEZRGTBWFPB-VCQFTWBDSA-N
MW235.24 g/mol
LogP-2.74
Rot. Bonds2

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

N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 90478880) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID90478880
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC NameN-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O
InChIInChI=1S/C9H17NO6/c1-4(12)10(2)6-8(14)7(13)5(3-11)16-9(6)15/h5-9,11,13-15H,3H2,1-2H3/t5-,6-,7-,8-,9+/m0/s1
InChIKeyJZSXEZRGTBWFPB-VCQFTWBDSA-N
XLogP-2.74
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 90478880) is N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N(C)[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O.
What is the InChIKey of N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is JZSXEZRGTBWFPB-VCQFTWBDSA-N. The full InChI is InChI=1S/C9H17NO6/c1-4(12)10(2)6-8(14)7(13)5(3-11)16-9(6)15/h5-9,11,13-15H,3H2,1-2H3/t5-,6-,7-,8-,9+/m0/s1.
What are the key properties of N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -2.74, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 90478880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).