N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide

C8H13NO5 — CID 42627356

IUPACN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)O[C@H](C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H13NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-7,11-12H,1-2H3,(H,9,10)/t3-,5+,6-,7-/m1/s1
InChIKeyCQSXLWSRAIGECA-VYNVVFCLSA-N
MW203.19 g/mol
LogP-1.84
Rot. Bonds1

About N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide

N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide (PubChem CID 42627356) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
PubChem CID42627356
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)O[C@H](C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H13NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-7,11-12H,1-2H3,(H,9,10)/t3-,5+,6-,7-/m1/s1
InChIKeyCQSXLWSRAIGECA-VYNVVFCLSA-N
XLogP-1.84
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide (CID 42627356) is N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)O[C@H](C)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide?
The InChIKey is CQSXLWSRAIGECA-VYNVVFCLSA-N. The full InChI is InChI=1S/C8H13NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-7,11-12H,1-2H3,(H,9,10)/t3-,5+,6-,7-/m1/s1.
What are the key properties of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide?
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide has a molecular weight of 203.19 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide is sourced from PubChem (CID 42627356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).