N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide

C9H17NO4 — CID 130754519

IUPACN-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
SMILESCO[C@@H]1C[C@H](O)[C@@H](NC(C)=O)[C@H](C)O1
InChIInChI=1S/C9H17NO4/c1-5-9(10-6(2)11)7(12)4-8(13-3)14-5/h5,7-9,12H,4H2,1-3H3,(H,10,11)/t5-,7-,8-,9-/m0/s1
InChIKeyNNPSCZPSYFAOTL-ZITKLIBNSA-N
MW203.24 g/mol
LogP-0.37
Rot. Bonds2

About N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide

N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide (PubChem CID 130754519) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
PubChem CID130754519
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
SMILESCO[C@@H]1C[C@H](O)[C@@H](NC(C)=O)[C@H](C)O1
InChIInChI=1S/C9H17NO4/c1-5-9(10-6(2)11)7(12)4-8(13-3)14-5/h5,7-9,12H,4H2,1-3H3,(H,10,11)/t5-,7-,8-,9-/m0/s1
InChIKeyNNPSCZPSYFAOTL-ZITKLIBNSA-N
XLogP-0.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146683
N-[(2R)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146689
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 118494513
[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6R)-4,6-dimethoxy-2-methyloxan-3-yl]carbamate
CID 59364476
N-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]acetamide
CID 57012935
N-[(2S,3R,4R,5R,6S)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]acetamide
CID 70005624
[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577436
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
N-[(1R,2S,4R,5S)-2,4-dimethoxy-6-oxabicyclo[3.1.0]hexan-3-yl]acetamide
CID 10821940
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide (CID 130754519) is N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide is CO[C@@H]1C[C@H](O)[C@@H](NC(C)=O)[C@H](C)O1.
What is the InChIKey of N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide?
The InChIKey is NNPSCZPSYFAOTL-ZITKLIBNSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5-9(10-6(2)11)7(12)4-8(13-3)14-5/h5,7-9,12H,4H2,1-3H3,(H,10,11)/t5-,7-,8-,9-/m0/s1.
What are the key properties of N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide?
N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide has a molecular weight of 203.24 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide is sourced from PubChem (CID 130754519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).