(2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H13NO6 — CID 119057463

IUPAC(2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESN[C@]1(O)[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C6H13NO6/c7-6(12)2(1-8)13-5(11)3(9)4(6)10/h2-5,8-12H,1,7H2/t2-,3+,4-,5+,6-/m1/s1
InChIKeyVYNNMPZKBLHGFJ-FDROIEKHSA-N
MW195.17 g/mol
LogP-3.93
Rot. Bonds1

About (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 119057463) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID119057463
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESN[C@]1(O)[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C6H13NO6/c7-6(12)2(1-8)13-5(11)3(9)4(6)10/h2-5,8-12H,1,7H2/t2-,3+,4-,5+,6-/m1/s1
InChIKeyVYNNMPZKBLHGFJ-FDROIEKHSA-N
XLogP-3.93
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 119057463) is (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is N[C@]1(O)[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO.
What is the InChIKey of (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is VYNNMPZKBLHGFJ-FDROIEKHSA-N. The full InChI is InChI=1S/C6H13NO6/c7-6(12)2(1-8)13-5(11)3(9)4(6)10/h2-5,8-12H,1,7H2/t2-,3+,4-,5+,6-/m1/s1.
What are the key properties of (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 195.17 g/mol, XLogP of -3.93, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 119057463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).