azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid

C8H17NO6 — CID 56671714

IUPACazane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid
SMILESC[C@@H](O)[C@H]1O[C@H](C(=O)O)C[C@@H](O)[C@H]1O.N
InChIInChI=1S/C8H14O6.H3N/c1-3(9)7-6(11)4(10)2-5(14-7)8(12)13;/h3-7,9-11H,2H2,1H3,(H,12,13);1H3/t3-,4-,5+,6-,7-;/m1./s1
InChIKeyOYCSQEXSHVUDSW-DEOAAGHXSA-N
MW223.22 g/mol
LogP-1.51
Rot. Bonds2

About azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid

azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid (PubChem CID 56671714) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Nameazane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid
PubChem CID56671714
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Nameazane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid
SMILESC[C@@H](O)[C@H]1O[C@H](C(=O)O)C[C@@H](O)[C@H]1O.N
InChIInChI=1S/C8H14O6.H3N/c1-3(9)7-6(11)4(10)2-5(14-7)8(12)13;/h3-7,9-11H,2H2,1H3,(H,12,13);1H3/t3-,4-,5+,6-,7-;/m1./s1
InChIKeyOYCSQEXSHVUDSW-DEOAAGHXSA-N
XLogP-1.51
TPSA142.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid?
The IUPAC name of azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid (CID 56671714) is azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid.
What is the SMILES notation for azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid?
The canonical SMILES for azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid is C[C@@H](O)[C@H]1O[C@H](C(=O)O)C[C@@H](O)[C@H]1O.N.
What is the InChIKey of azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid?
The InChIKey is OYCSQEXSHVUDSW-DEOAAGHXSA-N. The full InChI is InChI=1S/C8H14O6.H3N/c1-3(9)7-6(11)4(10)2-5(14-7)8(12)13;/h3-7,9-11H,2H2,1H3,(H,12,13);1H3/t3-,4-,5+,6-,7-;/m1./s1.
What are the key properties of azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid?
azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid has a molecular weight of 223.22 g/mol, XLogP of -1.51, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid is sourced from PubChem (CID 56671714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).