(3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C6H9NO6 — CID 154815551

IUPAC(3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESN[C@@H]1C(O)OC(C(=O)O)=C(O)C1O
InChIInChI=1S/C6H9NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-2,6,8-9,12H,7H2,(H,10,11)/t1-,2?,6?/m0/s1
InChIKeyXQIGBGBTUCFZPS-SUJSMHMTSA-N
MW191.14 g/mol
LogP-2.12
Rot. Bonds1

About (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

(3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 154815551) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID154815551
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name(3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESN[C@@H]1C(O)OC(C(=O)O)=C(O)C1O
InChIInChI=1S/C6H9NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-2,6,8-9,12H,7H2,(H,10,11)/t1-,2?,6?/m0/s1
InChIKeyXQIGBGBTUCFZPS-SUJSMHMTSA-N
XLogP-2.12
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 154815551) is (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is N[C@@H]1C(O)OC(C(=O)O)=C(O)C1O.
What is the InChIKey of (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is XQIGBGBTUCFZPS-SUJSMHMTSA-N. The full InChI is InChI=1S/C6H9NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-2,6,8-9,12H,7H2,(H,10,11)/t1-,2?,6?/m0/s1.
What are the key properties of (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
(3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 191.14 g/mol, XLogP of -2.12, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 154815551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).