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

C6H11NO6 — CID 129099905

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

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

(2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid (PubChem CID 129099905) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid
PubChem CID129099905
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name(2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid
SMILESN[C@@H]1[C@@H](O)[C@H](O)O[C@H](C(=O)O)[C@H]1O
InChIInChI=1S/C6H11NO6/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyQEOVFMXXXXPMAP-QIUUJYRFSA-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

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

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Related Compounds

(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid
CID 129100402
(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
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
4-amino-3,5,6-trihydroxyoxane-2-carbaldehyde
CID 126510613
3,4,6-trihydroxy-5-iodooxyoxane-2-carboxylic acid
CID 163431274
CID 173010882
CID 173010882
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589
(2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid
CID 71313570

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid (CID 129099905) is (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid is N[C@@H]1[C@@H](O)[C@H](O)O[C@H](C(=O)O)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid?
The InChIKey is QEOVFMXXXXPMAP-QIUUJYRFSA-N. The full InChI is InChI=1S/C6H11NO6/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1.
What are the key properties of (2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid?
(2S,3S,4S,5R,6R)-4-amino-3,5,6-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,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 129099905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).