(2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C8H11NO6 — CID 171122756

IUPAC(2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H](O)OC(C(=O)O)=C[C@@H]1O
InChIInChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6+,8+/m0/s1
InChIKeyAHFZYQXMAHOUES-CVTKMRTPSA-N
MW217.18 g/mol
LogP-1.83
Rot. Bonds2

About (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 171122756) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID171122756
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name(2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H](O)OC(C(=O)O)=C[C@@H]1O
InChIInChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6+,8+/m0/s1
InChIKeyAHFZYQXMAHOUES-CVTKMRTPSA-N
XLogP-1.83
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 171122756) is (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is CC(=O)N[C@H]1[C@H](O)OC(C(=O)O)=C[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is AHFZYQXMAHOUES-CVTKMRTPSA-N. The full InChI is InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6+,8+/m0/s1.
What are the key properties of (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of -1.83, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-acetamido-2,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 171122756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).