N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide

C9H17NO6 — CID 130460609

IUPACN-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
SMILESCO[C@H]1OC(CO)[C@@H](O)[C@H](NC(C)=O)C1O
InChIInChI=1S/C9H17NO6/c1-4(12)10-6-7(13)5(3-11)16-9(15-2)8(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6-,7+,8?,9-/m0/s1
InChIKeyKMGUBHSDEPQPDD-YQXWHEHVSA-N
MW235.24 g/mol
LogP-2.42
Rot. Bonds3

About N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide

N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide (PubChem CID 130460609) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
PubChem CID130460609
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC NameN-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
SMILESCO[C@H]1OC(CO)[C@@H](O)[C@H](NC(C)=O)C1O
InChIInChI=1S/C9H17NO6/c1-4(12)10-6-7(13)5(3-11)16-9(15-2)8(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6-,7+,8?,9-/m0/s1
InChIKeyKMGUBHSDEPQPDD-YQXWHEHVSA-N
XLogP-2.42
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
CID 54378063
N-[(2S,3S,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67879093
N-[(2R,3S,4R,5R,6R)-2-[[(2R,3S,4R,5S,6S)-5-acetamido-3,4-dihydroxy-6-methoxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67879085
N-[5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 3660162
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-[[(3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]amino]-4-oxobutanoic acid
CID 90707706
N-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6S)-5-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 162994851

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
The IUPAC name of N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide (CID 130460609) is N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide.
What is the SMILES notation for N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
The canonical SMILES for N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide is CO[C@H]1OC(CO)[C@@H](O)[C@H](NC(C)=O)C1O.
What is the InChIKey of N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
The InChIKey is KMGUBHSDEPQPDD-YQXWHEHVSA-N. The full InChI is InChI=1S/C9H17NO6/c1-4(12)10-6-7(13)5(3-11)16-9(15-2)8(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6-,7+,8?,9-/m0/s1.
What are the key properties of N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide?
N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide is sourced from PubChem (CID 130460609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).