(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid

C6H11NO6 — CID 129100402

IUPAC(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid
SMILESNC1[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11NO6/c7-1-2(8)3(9)6(12)13-4(1)5(10)11/h1-4,6,8-9,12H,7H2,(H,10,11)/t1?,2-,3+,4-,6-/m0/s1
InChIKeyIHPOKRCSLHOPES-SBYLPQMWSA-N
MW193.16 g/mol
LogP-3.16
Rot. Bonds1

About (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid

(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid (PubChem CID 129100402) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid
PubChem CID129100402
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid
SMILESNC1[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11NO6/c7-1-2(8)3(9)6(12)13-4(1)5(10)11/h1-4,6,8-9,12H,7H2,(H,10,11)/t1?,2-,3+,4-,6-/m0/s1
InChIKeyIHPOKRCSLHOPES-SBYLPQMWSA-N
XLogP-3.16
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-3.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid
CID 129099905
(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
cyclohexanamine;(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 174768614
(2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid
CID 91844942
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
(2S,3S,4R,5R)-4,5,6-trihydroxy-3-sulfooxyoxane-2-carboxylic acid
CID 175717862
(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol
CID 68865707
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
CID 173010882
CID 173010882
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid (CID 129100402) is (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid is NC1[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid?
The InChIKey is IHPOKRCSLHOPES-SBYLPQMWSA-N. The full InChI is InChI=1S/C6H11NO6/c7-1-2(8)3(9)6(12)13-4(1)5(10)11/h1-4,6,8-9,12H,7H2,(H,10,11)/t1?,2-,3+,4-,6-/m0/s1.
What are the key properties of (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid?
(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of -3.16, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 129100402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).