potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate

C14H22KNO8 — CID 162648302

IUPACpotassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate
SMILESCC(=O)N[C@@H]1C=C[C@@](OC(C)C)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO.[K+]
InChIInChI=1S/C14H23NO8.K/c1-7(2)22-14(13(20)21)5-4-9(15-8(3)17)12(23-14)11(19)10(18)6-16;/h4-5,7,9-12,16,18-19H,6H2,1-3H3,(H,15,17)(H,20,21);/q;+1/p-1/t9-,10-,11-,12-,14+;/m1./s1
InChIKeyPYOHBAGWTZNPKX-FQXSYBDXSA-M
MW371.43 g/mol
LogP-5.96
Rot. Bonds7

About potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate

potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate (PubChem CID 162648302) has the molecular formula C14H22KNO8 and a molecular weight of 371.43 g/mol. Its IUPAC name is potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate.

Molecular Properties

Compound Namepotassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate
PubChem CID162648302
Molecular FormulaC14H22KNO8
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Namepotassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate
SMILESCC(=O)N[C@@H]1C=C[C@@](OC(C)C)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO.[K+]
InChIInChI=1S/C14H23NO8.K/c1-7(2)22-14(13(20)21)5-4-9(15-8(3)17)12(23-14)11(19)10(18)6-16;/h4-5,7,9-12,16,18-19H,6H2,1-3H3,(H,15,17)(H,20,21);/q;+1/p-1/t9-,10-,11-,12-,14+;/m1./s1
InChIKeyPYOHBAGWTZNPKX-FQXSYBDXSA-M
XLogP-5.96
TPSA148.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 5-5.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate?
The IUPAC name of potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate (CID 162648302) is potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate.
What is the SMILES notation for potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate?
The canonical SMILES for potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate is CC(=O)N[C@@H]1C=C[C@@](OC(C)C)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO.[K+].
What is the InChIKey of potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate?
The InChIKey is PYOHBAGWTZNPKX-FQXSYBDXSA-M. The full InChI is InChI=1S/C14H23NO8.K/c1-7(2)22-14(13(20)21)5-4-9(15-8(3)17)12(23-14)11(19)10(18)6-16;/h4-5,7,9-12,16,18-19H,6H2,1-3H3,(H,15,17)(H,20,21);/q;+1/p-1/t9-,10-,11-,12-,14+;/m1./s1.
What are the key properties of potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate?
potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate has a molecular weight of 371.43 g/mol, XLogP of -5.96, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R,3R,6S)-3-acetamido-6-propan-2-yloxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylate is sourced from PubChem (CID 162648302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).