N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide

C10H18INO4 — CID 11089173

IUPACN-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@@H](C)[C@H](NC(C)=O)[C@@](C)(O)[C@H]1I
InChIInChI=1S/C10H18INO4/c1-5-8(12-6(2)13)10(3,14)7(11)9(15-4)16-5/h5,7-9,14H,1-4H3,(H,12,13)/t5-,7-,8-,9+,10-/m0/s1
InChIKeyTWBDCBWRYSZYBX-LWFNUECDSA-N
MW343.16 g/mol
LogP0.44
Rot. Bonds2

About N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide

N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide (PubChem CID 11089173) has the molecular formula C10H18INO4 and a molecular weight of 343.16 g/mol. Its IUPAC name is N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide
PubChem CID11089173
Molecular FormulaC10H18INO4
Molecular Weight343.16 g/mol
Exact Mass343.03
IUPAC NameN-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@@H](C)[C@H](NC(C)=O)[C@@](C)(O)[C@H]1I
InChIInChI=1S/C10H18INO4/c1-5-8(12-6(2)13)10(3,14)7(11)9(15-4)16-5/h5,7-9,14H,1-4H3,(H,12,13)/t5-,7-,8-,9+,10-/m0/s1
InChIKeyTWBDCBWRYSZYBX-LWFNUECDSA-N
XLogP0.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide with MolForge

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Related Compounds

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
N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide
CID 45266784
N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
CID 130754519
N-[(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-2,2,2-trifluoroacetamide
CID 11130786
[(2R,3S,4S,5R,6S)-5-acetyloxy-2-methoxy-3,6-dimethyloxan-4-yl] acetate
CID 158380214
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
N-[(1R,2S,4R,5S)-2,4-dimethoxy-6-oxabicyclo[3.1.0]hexan-3-yl]acetamide
CID 10821940
N-[(2R,3R,4R,5R,6R)-6-methyl-2,4,5-tris(trimethylsilyloxy)oxan-3-yl]acetamide
CID 22217474
(2R,3R,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 101001386
N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7336741
[(3S,4R,5S,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl] acetate
CID 21307891

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide (CID 11089173) is N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide is CO[C@@H]1O[C@@H](C)[C@H](NC(C)=O)[C@@](C)(O)[C@H]1I.
What is the InChIKey of N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide?
The InChIKey is TWBDCBWRYSZYBX-LWFNUECDSA-N. The full InChI is InChI=1S/C10H18INO4/c1-5-8(12-6(2)13)10(3,14)7(11)9(15-4)16-5/h5,7-9,14H,1-4H3,(H,12,13)/t5-,7-,8-,9+,10-/m0/s1.
What are the key properties of N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide?
N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide has a molecular weight of 343.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 11089173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).