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

C6H13NO6 — CID 175530729

IUPAC(3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESN[C@@]1(O)[C@H](O)[C@@H](O)C(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-LLXKQDMWSA-N
MW195.17 g/mol
LogP-3.93
Rot. Bonds1

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

(3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 175530729) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID175530729
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESN[C@@]1(O)[C@H](O)[C@@H](O)C(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-LLXKQDMWSA-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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Related Compounds

(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)oxane-3-carbonitrile
CID 174599917
(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 57254767
(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 90707173
(2R,3S,4S,5S,6S)-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 70500752
(3S,4S,5R,6S)-6-(hydroxymethyl)-5-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 175006959
(3S,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 122386513
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 175530729) is (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is N[C@@]1(O)[C@H](O)[C@@H](O)C(O)O[C@@H]1CO.
What is the InChIKey of (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is VYNNMPZKBLHGFJ-LLXKQDMWSA-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 (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(3R,4R,5R,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 (3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 175530729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).