(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C11H19NO10 — CID 22880774

IUPAC(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESN[C@]1(C(=O)CO)[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H19NO10/c12-11(6(17)3-14)5(16)1-10(21,9(19)20)22-8(11)7(18)4(15)2-13/h4-5,7-8,13-16,18,21H,1-3,12H2,(H,19,20)/t4-,5+,7-,8+,10+,11+/m1/s1
InChIKeyLHZGINQTXBBMKG-RTCVBHHNSA-N
MW325.27 g/mol
LogP-5.12
Rot. Bonds6

About (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 22880774) has the molecular formula C11H19NO10 and a molecular weight of 325.27 g/mol. Its IUPAC name is (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID22880774
Molecular FormulaC11H19NO10
Molecular Weight325.27 g/mol
Exact Mass325.10
IUPAC Name(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESN[C@]1(C(=O)CO)[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H19NO10/c12-11(6(17)3-14)5(16)1-10(21,9(19)20)22-8(11)7(18)4(15)2-13/h4-5,7-8,13-16,18,21H,1-3,12H2,(H,19,20)/t4-,5+,7-,8+,10+,11+/m1/s1
InChIKeyLHZGINQTXBBMKG-RTCVBHHNSA-N
XLogP-5.12
TPSA211.00 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.27
LogP ≤ 5-5.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 22880774) is (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is N[C@]1(C(=O)CO)[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO.
What is the InChIKey of (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is LHZGINQTXBBMKG-RTCVBHHNSA-N. The full InChI is InChI=1S/C11H19NO10/c12-11(6(17)3-14)5(16)1-10(21,9(19)20)22-8(11)7(18)4(15)2-13/h4-5,7-8,13-16,18,21H,1-3,12H2,(H,19,20)/t4-,5+,7-,8+,10+,11+/m1/s1.
What are the key properties of (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 325.27 g/mol, XLogP of -5.12, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-5-(2-hydroxyacetyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 22880774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).