CID 58738350

C12H22NO4 — CID 58738350

IUPAC—
SMILESCCC1[CH]C(NC(C)=O)C(COC)OC1CO
InChIInChI=1S/C12H22NO4/c1-4-9-5-10(13-8(2)15)12(7-16-3)17-11(9)6-14/h5,9-12,14H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyXVVXOAUJCYNWMO-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.13
Rot. Bonds5

About CID 58738350

CID 58738350 (PubChem CID 58738350) has the molecular formula C12H22NO4 and a molecular weight of 244.31 g/mol.

Molecular Properties

Compound NameCID 58738350
PubChem CID58738350
Molecular FormulaC12H22NO4
Molecular Weight244.31 g/mol
Exact Mass244.15
IUPAC Name—
SMILESCCC1[CH]C(NC(C)=O)C(COC)OC1CO
InChIInChI=1S/C12H22NO4/c1-4-9-5-10(13-8(2)15)12(7-16-3)17-11(9)6-14/h5,9-12,14H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyXVVXOAUJCYNWMO-UHFFFAOYSA-N
XLogP0.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 20760803
N-[(3R,4R,5R,6R)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138493410
N-[(2R,5S)-5-ethyl-4-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 54151858
N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 71179582
N-[(2S,5S,6R)-5-[[(2R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)oxan-2-yl]methoxymethyl]-2-ethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[[3-[[(2S,3S,5S)-5-[[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)oxan-2-yl]methoxymethyl]-2-ethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropyl]disulfanyl]propanamide
CID 88902866
(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
CID 90293180
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 156616950
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide
CID 122520459
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971
N-[(2R,4S,5R)-5-[(2R,4S,5R)-3,4-bis(hydroxymethyl)-6-(methoxymethyl)-5-[(2S,4S,5S)-3,4,5-tris(hydroxymethyl)-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(hydroxymethyl)-6-(methoxymethyl)oxan-2-yl]acetamide
CID 58241241
N-[(2S,3R,4S,5S,6S)-5-hydroxy-2,4-dimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11891134

Frequently Asked Questions

What is the IUPAC name of CID 58738350?
The IUPAC name of CID 58738350 (CID 58738350) is not available.
What is the SMILES notation for CID 58738350?
The canonical SMILES for CID 58738350 is CCC1[CH]C(NC(C)=O)C(COC)OC1CO.
What is the InChIKey of CID 58738350?
The InChIKey is XVVXOAUJCYNWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO4/c1-4-9-5-10(13-8(2)15)12(7-16-3)17-11(9)6-14/h5,9-12,14H,4,6-7H2,1-3H3,(H,13,15).
What are the key properties of CID 58738350?
CID 58738350 has a molecular weight of 244.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58738350 is sourced from PubChem (CID 58738350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).